spiperone [Ligand Id: 99] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL267930 (Espiperona, NSC-170983, R 5147, R-5147, Spiperone) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| α1A-adrenoceptor/Alpha-1a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL229] [GtoPdb: 22] [UniProtKB: P35348] | ||||||||
| ChEMBL | Binding constant measured against Alpha-1A adrenergic receptor in human prostate; ++:moderately active | B | 8.1 | pKi | 7.9 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 657-664 [PMID:15664832] |
| GtoPdb | - | - | 8.3 | pKi | - | - | - | Jpn J Pharmacol (2001) 86: 189-95 [PMID:11459121] |
| Alpha-1a adrenergic receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4892] [UniProtKB: P18130] | ||||||||
| ChEMBL | Compound was tested for binding affinity against cloned Alpha-1A adrenergic receptor from bovine brain using radioligand ([3H]prazosin) binding assay | B | 7.87 | pKi | 13.49 | nM | Ki | J Med Chem (1996) 39: 4602-4607 [PMID:8917649] |
| α1A-adrenoceptor/Alpha-1a adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL319] [GtoPdb: 22] [UniProtKB: P43140] | ||||||||
| ChEMBL | Binding affinity against native Alpha-1A adrenergic receptor from rat hippocampus pretreated with chloroethylclonidine using radioligand ([3H]prazosin) binding assay | B | 7.42 | pKi | 38.02 | nM | Ki | J Med Chem (1996) 39: 4602-4607 [PMID:8917649] |
| ChEMBL | Overall binding displacement in tissues containing only the Alpha-1A adrenergic receptor from rat submaxillary gland | B | 8.14 | pKi | 7.2 | nM | Ki | J Med Chem (1995) 38: 3415-3444 [PMID:7658428] |
| α1B-adrenoceptor/Alpha-1b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL232] [GtoPdb: 23] [UniProtKB: P35368] | ||||||||
| ChEMBL | Compound was tested for binding affinity against cloned Alpha-1B adrenergic receptor from hamster smooth muscle using radioligand ([3H]prazosin) binding assay | B | 8.15 | pKi | 7.08 | nM | Ki | J Med Chem (1996) 39: 4602-4607 [PMID:8917649] |
| GtoPdb | - | - | 9.2 | pKi | - | - | - | Jpn J Pharmacol (2001) 86: 189-95 [PMID:11459121] |
| α1B-adrenoceptor/Alpha-1b adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL315] [GtoPdb: 23] [UniProtKB: P15823] | ||||||||
| ChEMBL | Overall binding displacement in tissues containing only the Alpha-1B adrenergic receptor (rat spleen, rat liver) | B | 8.89 | pKi | 1.3 | nM | Ki | J Med Chem (1995) 38: 3415-3444 [PMID:7658428] |
| α1D-adrenoceptor in Human [GtoPdb: 24] [UniProtKB: P25100] | ||||||||
| GtoPdb | - | - | 8.1 | pKi | - | - | - | Jpn J Pharmacol (2001) 86: 189-95 [PMID:11459121] |
| α1D-adrenoceptor/Alpha-1d adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL326] [GtoPdb: 24] [UniProtKB: P23944] | ||||||||
| ChEMBL | Compound was tested for binding affinity against cloned Alpha-1D adrenergic receptor from rat brain. | B | 7.66 | pKi | 21.88 | nM | Ki | J Med Chem (1996) 39: 4602-4607 [PMID:8917649] |
| Beta casein in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2210] [UniProtKB: P02665] | ||||||||
| ChEMBL | Compound was tested for binding Alpha-1B adrenergic receptor from rat liver using radioligand ([3H]prazosin) binding assay | B | 8.81 | pKi | 1.55 | nM | Ki | J Med Chem (1996) 39: 4602-4607 [PMID:8917649] |
| D1 receptor/Dopamine D1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728] | ||||||||
| ChEMBL | Binding affinity against dopamine receptor D1 by using [3H]-SCH- 23390 as radioligand in caudate-putamen of monkey | B | 6.49 | pKi | 323 | nM | Ki | J Med Chem (1991) 34: 3235-3241 [PMID:1956042] |
| GtoPdb | - | - | 6.7 | pKi | - | - | - | Nature (1991) 350: 614-9 [PMID:1826762] |
| D1 receptor/Dopamine D1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL265] [GtoPdb: 214] [UniProtKB: P18901] | ||||||||
| ChEMBL | In vitro binding affinity towards Dopamine receptor D1 by displacing [125I]FISCH radioligand in rat striatal homogenate | B | 5.52 | pKi | >3000 | nM | Ki | J Med Chem (1989) 32: 1431-1435 [PMID:2525621] |
| D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | Binding affinity to dopamine D2 receptor in human brain caudate nucleus | B | 9.8 | pKd | 0.16 | nM | Kd | Bioorg Med Chem (2016) 24: 3671-3679 [PMID:27364609] |
| ChEMBL | Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter | B | 8.92 | pKi | 1.2 | nM | Ki | Bioorg Med Chem (2013) 21: 856-868 [PMID:23332346] |
| ChEMBL | Displacement of [3H]-spiperone from dopamine D2 receptor (unknown origin) expressed in HEK293 cell membranes incubated for 15 mins by liquid scintillation spectrometry | B | 8.97 | pKi | 1.08 | nM | Ki | Bioorg Med Chem Lett (2015) 25: 3970-3974 [PMID:26227779] |
| ChEMBL | Reception Binding Assay: Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as receptor protein were loaded into the reaction tube and incubated in 30° C. water bath for 60 minutes. The reaction was terminated in a refrigerator. The reaction mixture was put in a Millipore filter (millipore) cell sample collector, filtered through suction filtration using GF/C glass fiber filter paper, and dried. The resulting sample was placed into 0.5 mL tube. 500 μL liquid scintillation fluid was added and intensity of radioactivity was determined by counting. For dopamine D1 receptor: isotope receptor ligands [3H] SCH23390 (85.0 Ci/mmol) (D1-selective, purchased from Amersham Corporation), D1 receptor protein expressed in HEK-293 cells; For D2 dopamine receptor: isotope receptor ligands [3H] Spiperone (77.0 Ci/mmol) (D2-selective, purchased from Amersham Corporation); D2 receptor protein expressed in HEK-293 cells; For 5-HT1A receptor: isotope receptor ligands [3H] 8-OH-DPAT; 5-HT1A receptor protein expressed in HEK-293 cells; For 5-HT2A receptor: isotope receptor ligands [3H]-Ketanserin; 5-HT2A receptor protein expressed in HEK-293 cells. | B | 9.3 | pKi | 0.5 | nM | Ki | US-9359372-B2. Hexahydrodibenzo[a,g]quinolizine compound, preparation method thereof, pharmaceutical composition and use thereof (2016) |
| ChEMBL | Displacement of [3H]spiperone from human dopamine D2 receptor expressed in HEK293 cells | B | 9.36 | pKi | 0.44 | nM | Ki | Bioorg Med Chem (2008) 16: 6675-6681 [PMID:18562201] |
| ChEMBL | Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells | B | 9.55 | pKi | 0.28 | nM | Ki | Bioorg Med Chem (2012) 20: 4862-4871 [PMID:22748706] |
| ChEMBL | Tested for binding affinity against dopamine receptor D2 | B | 9.7 | pKi | 0.2 | nM | Ki | J Med Chem (1993) 36: 2519-2525 [PMID:8355253] |
| ChEMBL | Binding affinity for human dopamine receptor D2 long | B | 9.92 | pKi | 0.12 | nM | Ki | J Med Chem (2005) 48: 694-709 [PMID:15689154] |
| ChEMBL | Displacement of [3H]sulpiride from dopamine D2 receptor | B | 10 | pKi | 0.1 | nM | Ki | J Nat Prod (1993) 56: 441-455 [PMID:8496700] |
| ChEMBL | Displacement of [3H]Spiperone from human recombinant dopamine D2S receptor expressed in CHO cells after 2 hrs | B | 10.05 | pKi | 0.09 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 1834-1838 [PMID:23403082] |
| ChEMBL | Binding affinity against dopamine receptor D2 by using [3H]spiperone as radioligand in caudate-putamen of monkey | B | 10.22 | pKi | 0.06 | nM | Ki | J Med Chem (1991) 34: 3235-3241 [PMID:1956042] |
| ChEMBL | Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method | B | 10.22 | pKi | 0.06 | nM | Ki | J Med Chem (2017) 60: 9905-9910 [PMID:29125762] |
| ChEMBL | Reception Binding Assay: Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as receptor protein were loaded into the reaction tube and incubated in 30° C. water bath for 60 minutes. The reaction was terminated in a refrigerator. The reaction mixture was put in a Millipore filter (millipore) cell sample collector, filtered through suction filtration using GF/C glass fiber filter paper, and dried. The resulting sample was placed into 0.5 mL tube. 500 μL liquid scintillation fluid was added and intensity of radioactivity was determined by counting. For dopamine D1 receptor: isotope receptor ligands [3H] SCH23390 (85.0 Ci/mmol) (D1-selective, purchased from Amersham Corporation), D1 receptor protein expressed in HEK-293 cells; For D2 dopamine receptor: isotope receptor ligands [3H] Spiperone (77.0 Ci/mmol) (D2-selective, purchased from Amersham Corporation); D2 receptor protein expressed in HEK-293 cells; For 5-HT1A receptor: isotope receptor ligands [3H] 8-OH-DPAT; 5-HT1A receptor protein expressed in HEK-293 cells; For 5-HT2A receptor: isotope receptor ligands [3H]-Ketanserin; 5-HT2A receptor protein expressed in HEK-293 cells. | B | 8.59 | pIC50 | 2.56 | nM | IC50 | US-9359372-B2. Hexahydrodibenzo[a,g]quinolizine compound, preparation method thereof, pharmaceutical composition and use thereof (2016) |
| ChEMBL | Displacement of [3H]Spiprone from human dopamine D2 receptor expressed in HEK293 cells | B | 8.9 | pIC50 | 1.27 | nM | IC50 | Bioorg Med Chem (2012) 20: 4862-4871 [PMID:22748706] |
| ChEMBL | Antagonist activity at human D2 receptor stably expressed in CHO-K1 cells assessed as beta arrestin recruitment preincubated for 90 mins by tropix-gal screen substrate based luminescence analysis | F | 8.92 | pIC50 | 1.2 | nM | IC50 | J Med Chem (2023) 66: 12141-12162 [PMID:37646374] |
| ChEMBL | Antagonist activity at human D2 receptor stably expressed in CHO-K1 cells assessed as inhibition of forskolin stimulated cAMP production incubated for 30 mins by Lance ultra cAMP assay | F | 9.23 | pIC50 | 0.59 | nM | IC50 | J Med Chem (2023) 66: 12141-12162 [PMID:37646374] |
| ChEMBL | Displacement of [3H]Spiperone from human recombinant dopamine D2S receptor expressed in CHO cells after 2 hrs | B | 9.6 | pIC50 | 0.25 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1834-1838 [PMID:23403082] |
| ChEMBL | Affinity Assay: Each medicament was dissolved in serum-free F12 culture medium containing 100 μM of IBMX. CHO cells which can stably express D2 receptor were pre-incubated at 37° C. for 10 min, and then 10 μM Forskoline and 10 μM Dopanie were added at the same time to react for 10 min. 100 μL, of pre-cooled 1 M of HClO4 was added and the reaction was terminated at 4° C. for 1 hour. 20 μL of 2 M K2CO3 was added to neutralize the reaction. The resulting mixture was centrifugated at 3000 rpm for 15 min, and the precipitate KClO4 was discarded. A certain amount of the supernatant was taken for cAMP detection. Spiperone and Quinpirole were used as positive control. | F | 8.85 | pEC50 | 1.4 | nM | EC50 | US-9359372-B2. Hexahydrodibenzo[a,g]quinolizine compound, preparation method thereof, pharmaceutical composition and use thereof (2016) |
| D2 receptor/Dopamine D2 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL339] [GtoPdb: 215] [UniProtKB: P61169] | ||||||||
| ChEMBL | Compound was tested for binding affinity against native Dopamine receptor D2 from rat striatum using radioligand [3H]-spiperone) | B | 9.24 | pKi | 0.58 | nM | Ki | J Med Chem (1996) 39: 4602-4607 [PMID:8917649] |
| ChEMBL | Binding affinity against rat Dopamine receptor D2. | B | 9.3 | pKi | 0.5 | nM | Ki | J Med Chem (1998) 41: 5084-5093 [PMID:9836624] |
| ChEMBL | Inhibitory constant against dopamine D2 receptor using 0.2 nM [3H]-spiperone | B | 9.38 | pKi | 0.42 | nM | Ki | J Med Chem (2005) 48: 266-273 [PMID:15634021] |
| GtoPdb | - | - | 9.4 | pKi | - | - | - |
Eur J Pharmacol (1994) 266: 79-85 [PMID:7907989]; Nature (1990) 347: 146-51 [PMID:1975644]; J Pharmacol Exp Ther (1995) 275: 885-898 [PMID:7473180]; J Pharmacol Exp Ther (1994) 268: 495-502 [PMID:8301592] |
| ChEMBL | Inhibitory constant against binding of [125I]- IBZM to rat striatal membrane | B | 9.83 | pKi | 0.15 | nM | Ki | J Med Chem (1988) 31: 1039-1043 [PMID:2966245] |
| ChEMBL | Displacement of [3H]spiperone from dopamine receptor D2 | B | 10.24 | pKi | 0.06 | nM | Ki | J Med Chem (1992) 35: 423-430 [PMID:1531364] |
| ChEMBL | Binding affinity of compound against Dopamine receptor D2 binding site using radioligand [3H]spiperone | B | 10.35 | pKi | 0.04 | nM | Ki | J Med Chem (1989) 32: 1959-1962 [PMID:2569041] |
| ChEMBL | Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand | B | 10.82 | pKi | 0.01 | nM | Ki | J Med Chem (1990) 33: 171-178 [PMID:2136916] |
| ChEMBL | In vitro inhibition of [3H]spiroperidol binding to rat Dopamine D2 receptors. | B | 10.22 | pIC50 | 0.06 | nM | IC50 | J Med Chem (1999) 42: 490-496 [PMID:9986719] |
| D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | In vitro binding affinity on D3 receptor is inhibition of binding of [125I]- NCQ 298 to Sf9 cells infected with recombinant baculovirus | B | 8.88 | pKi | 1.31 | nM | Ki | J Med Chem (1993) 36: 3707-3720 [PMID:8246241] |
| GtoPdb | - | - | 9.2 | pKi | - | - | - | Nature (1990) 347: 146-51 [PMID:1975644] |
| ChEMBL | Displacement of [3H]-spiperone from dopamine D3 receptor (unknown origin) expressed in HEK293 cell membranes incubated for 15 mins by liquid scintillation spectrometry | B | 9.32 | pKi | 0.48 | nM | Ki | Bioorg Med Chem Lett (2015) 25: 3970-3974 [PMID:26227779] |
| ChEMBL | Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting method | B | 9.48 | pKi | 0.33 | nM | Ki | J Med Chem (2017) 60: 9905-9910 [PMID:29125762] |
| ChEMBL | Displacement of [125I]IABN from recombinant human D3 receptor stably expressed in HEK293 cell membranes measured after 60 mins by scintillation counting analysis | B | 9.48 | pKi | 0.33 | nM | Ki | J Med Chem (2019) 62: 5132-5147 [PMID:31021617] |
| ChEMBL | Binding affinity to dopamine D3 receptor (unknown origin) | B | 9.49 | pKi | 0.32 | nM | Ki | Bioorg Med Chem (2016) 24: 3671-3679 [PMID:27364609] |
| ChEMBL | Binding affinity for human dopamine receptor D3 | B | 9.6 | pKi | 0.25 | nM | Ki | J Med Chem (2005) 48: 694-709 [PMID:15689154] |
| ChEMBL | Displacement of [125I]iodosulpiride from human Dopamine receptor D3 expressed in CHO cells | B | 9.6 | pKi | 0.25 | nM | Ki | J Med Chem (2003) 46: 4377-4392 [PMID:14521403] |
| ChEMBL | Displacement of [3H]Spiperone from human recombinant dopamine D3 receptor expressed in CHO cells after 2 hrs | B | 9.92 | pKi | 0.12 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 1834-1838 [PMID:23403082] |
| ChEMBL | Antagonist activity at dopamine D3 receptor (unknown origin) expressed in CHOK1 cells coexpressing Galpha15 assessed as inhibition of agonist-induced response incubated for 60 mins in incubator followed by 15 mins at room temperature by FLIPR assay | B | 7.01 | pIC50 | 97 | nM | IC50 | J Med Chem (2013) 56: 4671-4690 [PMID:23675993] |
| ChEMBL | Antagonist activity at dopamine D3 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of dopamine-induced calcium flux after 15 mins by calcium 4-dye based FLIPR assay | F | 7.03 | pIC50 | 93.2 | nM | IC50 | J Med Chem (2018) 61: 10017-10039 [PMID:30383372] |
| ChEMBL | Displacement of [3H]Spiperone from human recombinant dopamine D3 receptor expressed in CHO cells after 2 hrs | B | 9.44 | pIC50 | 0.36 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1834-1838 [PMID:23403082] |
| D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917] | ||||||||
| ChEMBL | Binding affinity to dopamine D4 receptor (unknown origin) | B | 8.85 | pKi | 1.4 | nM | Ki | Bioorg Med Chem (2016) 24: 3671-3679 [PMID:27364609] |
| GtoPdb | - | - | 9.3 | pKi | - | - | - | Life Sci (1995) 57: PL275-83 [PMID:7475902] |
| ChEMBL | Binding affinity to dopamine D4 receptor (unknown origin) | B | 9.35 | pKi | 0.45 | nM | Ki | J Med Chem (2017) 60: 9905-9910 [PMID:29125762] |
| ChEMBL | Inhibition of D4 receptor (unknown origin) | B | 9.35 | pKi | 0.45 | nM | Ki | J Med Chem (2019) 62: 5132-5147 [PMID:31021617] |
| ChEMBL | Binding affinity for Dopamine receptor D4 | B | 9.48 | pKi | 0.33 | nM | Ki | J Med Chem (2005) 48: 694-709 [PMID:15689154] |
| ChEMBL | Displacement of [3H]Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells after 2 hrs | B | 9.7 | pKi | 0.2 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 1834-1838 [PMID:23403082] |
| ChEMBL | Antagonist activity at human D4 receptor stably expressed in CHO-K1 cells assessed as inhibition of forskolin stimulated cAMP production incubated for 30 mins by Lance ultra cAMP assay | F | 8.31 | pIC50 | 4.91 | nM | IC50 | J Med Chem (2023) 66: 12141-12162 [PMID:37646374] |
| ChEMBL | Antagonist activity at human D4 receptor stably expressed in CHO-K1 cells assessed as beta arrestin recruitment preincubated for 90 mins by tropix-gal screen substrate based luminescence analysis | F | 9.1 | pIC50 | 0.8 | nM | IC50 | J Med Chem (2023) 66: 12141-12162 [PMID:37646374] |
| ChEMBL | Displacement of [3H]Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells after 2 hrs | B | 9.3 | pIC50 | 0.5 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1834-1838 [PMID:23403082] |
| HLA class I histocompatibility antigen A-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2632] [UniProtKB: P04439] | ||||||||
| ChEMBL | Binding affinity to human biotinylated HLA-A2 by surface plasmon resonance assay | B | 5.6 | pKd | 2500 | nM | Kd | Bioorg Med Chem Lett (2018) 28: 2837-2841 [PMID:30077568] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | DNDI: Malaria in Vitro, 72 hour | F | 5.75 | pIC50 | 1760 | nM | IC50 | Antiprotozoal Activity Profiling of Approved Drugs: A Starting Point toward Drug Repositioning |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908] | ||||||||
| ChEMBL | Binding affinity to 5HT1A receptor | B | 7.4 | pKd | 39.81 | nM | Kd | J Med Chem (2009) 52: 6107-6125 [PMID:19754201] |
| ChEMBL | Displacement of [3H]spiperone from human recombinant 5HT1A receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method | B | 7.76 | pKi | 17.2 | nM | Ki | Bioorg Med Chem (2016) 24: 3671-3679 [PMID:27364609] |
| GtoPdb | - | - | 8.8 | pKi | - | - | - |
Biochem J (1992) 285 ( Pt 3): 933-8 [PMID:1386736]; Eur J Pharmacol (1998) 355: 245-56 [PMID:9760039]; Naunyn Schmiedebergs Arch Pharmacol (1998) 357: 205-17 [PMID:9550290] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327] | ||||||||
| ChEMBL | Binding affinity towards 5-hydroxytryptamine 1A receptor by the displacement of [125I]trans-8-OH-PIPAT in membrane homogenates of hippocampal tissue of rat brain | B | 6.22 | pKi | 602 | nM | Ki | J Med Chem (1993) 36: 3161-3165 [PMID:8230102] |
| ChEMBL | Binding affinity against rat 5-hydroxytryptamine 1A receptor in CHO cells. | B | 7.24 | pKi | 58 | nM | Ki | J Med Chem (1998) 41: 5084-5093 [PMID:9836624] |
| ChEMBL | Tested for binding affinity against 5-hydroxytryptamine 1A receptor from rat frontal cortical regions using [3H]8-OH-DPAT as radioligand | B | 7.31 | pKi | 49 | nM | Ki | J Med Chem (1993) 36: 2519-2525 [PMID:8355253] |
| ChEMBL | Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a radioligand. | B | 7.4 | pKi | 40 | nM | Ki | J Med Chem (1987) 30: 1-12 [PMID:3543362] |
| ChEMBL | Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding site using radioligand [3H]8-OH-DPAT | B | 7.52 | pKi | 30 | nM | Ki | J Med Chem (1989) 32: 1959-1962 [PMID:2569041] |
| ChEMBL | Binding affinity against native 5-HT1A-receptors from rat hippocampus using radioligand ([3H]8-hydroxy-2-(di-n-propylamino)-tetraline) binding assay | B | 7.6 | pKi | 25.12 | nM | Ki | J Med Chem (1996) 39: 4602-4607 [PMID:8917649] |
| ChEMBL | Binding affinity towards 5-hydroxytryptamine 1A receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand. | B | 6.91 | pIC50 | 123.03 | nM | IC50 | J Med Chem (1988) 31: 1087-1093 [PMID:3373482] |
| 5-HT1B receptor in Mouse [GtoPdb: 2] [UniProtKB: P28334] | ||||||||
| GtoPdb | - | - | 8.3 | pKi | - | - | - | Proc Natl Acad Sci USA (1992) 89: 3020-4 [PMID:1557407] |
| 5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564] | ||||||||
| ChEMBL | Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand. | B | 5.32 | pKi | 4800 | nM | Ki | J Med Chem (1987) 30: 1-12 [PMID:3543362] |
| ChEMBL | Binding affinity against 5-HT1B receptor in rat frontal cortex using [3H]-5-HT in presence of 0.1 uM [3H]-8-OH-DPAT as a radioligand | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (1988) 31: 1087-1093 [PMID:3373482] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | Reception Binding Assay: Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as receptor protein were loaded into the reaction tube and incubated in 30° C. water bath for 60 minutes. The reaction was terminated in a refrigerator. The reaction mixture was put in a Millipore filter (millipore) cell sample collector, filtered through suction filtration using GF/C glass fiber filter paper, and dried. The resulting sample was placed into 0.5 mL tube. 500 μL liquid scintillation fluid was added and intensity of radioactivity was determined by counting. For dopamine D1 receptor: isotope receptor ligands [3H] SCH23390 (85.0 Ci/mmol) (D1-selective, purchased from Amersham Corporation), D1 receptor protein expressed in HEK-293 cells; For D2 dopamine receptor: isotope receptor ligands [3H] Spiperone (77.0 Ci/mmol) (D2-selective, purchased from Amersham Corporation); D2 receptor protein expressed in HEK-293 cells; For 5-HT1A receptor: isotope receptor ligands [3H] 8-OH-DPAT; 5-HT1A receptor protein expressed in HEK-293 cells; For 5-HT2A receptor: isotope receptor ligands [3H]-Ketanserin; 5-HT2A receptor protein expressed in HEK-293 cells. | B | 8.53 | pKi | 2.94 | nM | Ki | US-9359372-B2. Hexahydrodibenzo[a,g]quinolizine compound, preparation method thereof, pharmaceutical composition and use thereof (2016) |
| ChEMBL | Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter | B | 8.54 | pKi | 2.9 | nM | Ki | Bioorg Med Chem (2013) 21: 856-868 [PMID:23332346] |
| ChEMBL | Displacement of [3H]Ketanserin from human 5HT2A receptor expressed in HEK293 cells | B | 8.65 | pKi | 2.24 | nM | Ki | Bioorg Med Chem (2012) 20: 4862-4871 [PMID:22748706] |
| ChEMBL | Displacement of [3H]-ketanserin from human cloned 5-hydroxytryptamine 2A receptor expressed in CHO-K1 cells. | B | 8.8 | pKi | 1.58 | nM | Ki | Bioorg Med Chem Lett (1996) 6: 2687-2692 |
| ChEMBL | Binding affinity to human 5HT2A receptor | B | 8.96 | pKi | 1.1 | nM | Ki | Bioorg Med Chem (2016) 24: 3671-3679 [PMID:27364609] |
| GtoPdb | - | - | 9.4 | pKi | - | - | - |
Naunyn Schmiedebergs Arch Pharmacol (2004) 370: 114-23 [PMID:15322733]; Biochem Pharmacol (1996) 51: 71-6 [PMID:8534270]; Mol Pharmacol (1990) 38: 604-9 [PMID:2233697] |
| ChEMBL | Reception Binding Assay: Different concentrations (10^−5 M-10^−11 M) of the compound of the invention and corresponding isotope receptor ligand as well as receptor protein were loaded into the reaction tube and incubated in 30° C. water bath for 60 minutes. The reaction was terminated in a refrigerator. The reaction mixture was put in a Millipore filter (millipore) cell sample collector, filtered through suction filtration using GF/C glass fiber filter paper, and dried. The resulting sample was placed into 0.5 mL tube. 500 μL liquid scintillation fluid was added and intensity of radioactivity was determined by counting. For dopamine D1 receptor: isotope receptor ligands [3H] SCH23390 (85.0 Ci/mmol) (D1-selective, purchased from Amersham Corporation), D1 receptor protein expressed in HEK-293 cells; For D2 dopamine receptor: isotope receptor ligands [3H] Spiperone (77.0 Ci/mmol) (D2-selective, purchased from Amersham Corporation); D2 receptor protein expressed in HEK-293 cells; For 5-HT1A receptor: isotope receptor ligands [3H] 8-OH-DPAT; 5-HT1A receptor protein expressed in HEK-293 cells; For 5-HT2A receptor: isotope receptor ligands [3H]-Ketanserin; 5-HT2A receptor protein expressed in HEK-293 cells. | B | 8.25 | pIC50 | 5.67 | nM | IC50 | US-9359372-B2. Hexahydrodibenzo[a,g]quinolizine compound, preparation method thereof, pharmaceutical composition and use thereof (2016) |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL322] [GtoPdb: 6] [UniProtKB: P14842] | ||||||||
| ChEMBL | Binding affinity against rat 5-hydroxytryptamine 2A receptor in NIH3T3 cells. | B | 8.74 | pKi | 1.8 | nM | Ki | J Med Chem (1998) 41: 5084-5093 [PMID:9836624] |
| ChEMBL | Displacement of [3H]ketanserin from rat 5HT2A receptor expressed in mouse NIH3T3 cells | B | 9 | pKi | 1 | nM | Ki | J Nat Prod (1997) 60: 651-653 [PMID:9214741] |
| GtoPdb | - | - | 9.2 | pKi | - | - | - |
Mol Pharmacol (2000) 58: 877-86 [PMID:11040033]; J Pharmacol Exp Ther (1998) 286: 85-90 [PMID:9655845] |
| 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | Displacement of [3H]-5-5HT from human cloned 5-hydroxytryptamine 2B receptor expressed in CHO-K1 cells | B | 5.9 | pKi | 1258.93 | nM | Ki | Bioorg Med Chem Lett (1996) 6: 2687-2692 |
| GtoPdb | - | - | 6.5 | pKi | - | - | - |
Naunyn Schmiedebergs Arch Pharmacol (2004) 370: 114-23 [PMID:15322733]; Mol Pharmacol (1994) 46: 227-34 [PMID:8078486]; Naunyn Schmiedebergs Arch Pharmacol (1998) 357: 17-24 [PMID:9459568] |
| 5-HT2B receptor in Rat [GtoPdb: 7] [UniProtKB: P30994] | ||||||||
| GtoPdb | - | - | 5.5 | pKi | - | - | - | Mol Pharmacol (1993) 43: 419-26 [PMID:8450835] |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
| ChEMBL | Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand. | B | 5.94 | pKi | 1150 | nM | Ki | J Med Chem (1987) 30: 1-12 [PMID:3543362] |
| ChEMBL | Displacement of [3H]mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cells | B | 6.2 | pKi | 630.96 | nM | Ki | Bioorg Med Chem Lett (1996) 6: 2687-2692 |
| GtoPdb | - | - | 6.2 | pKi | - | - | - |
Naunyn Schmiedebergs Arch Pharmacol (2004) 370: 114-23 [PMID:15322733]; J Pharmacol Exp Ther (2000) 295: 226-32 [PMID:10991983]; J Neurochem (1999) 72: 2127-34 [PMID:10217294] |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL324] [GtoPdb: 8] [UniProtKB: P08909] | ||||||||
| ChEMBL | Binding affinity against rat 5-hydroxytryptamine 2C receptor in A-9 cells. | B | 5.8 | pKi | 1600 | nM | Ki | J Med Chem (1998) 41: 5084-5093 [PMID:9836624] |
| ChEMBL | Tested for binding affinity against 5-hydroxytryptamine 1C receptor from rat frontal cortical regions using [3H]mesulergine as radioligand | B | 6 | pKi | 1000 | nM | Ki | J Med Chem (1993) 36: 2519-2525 [PMID:8355253] |
| 5-HT5A receptor/Serotonin 5a (5-HT5a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3426] [GtoPdb: 10] [UniProtKB: P47898] | ||||||||
| ChEMBL | Binding affinity towards human 5-hydroxytryptamine 5A receptor was evaluated using [3H]-5-CT as radioligand | B | 4.2 | pKi | 63000 | nM | Ki | J Med Chem (2003) 46: 2795-2812 [PMID:12825922] |
| 5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406] | ||||||||
| ChEMBL | Binding affinity towards human 5-hydroxytryptamine 6 receptor | B | 5.8 | pKi | 1595 | nM | Ki | J Med Chem (2003) 46: 2795-2812 [PMID:12825922] |
| ChEMBL | Binding affinity towards human 5-hydroxytryptamine 6 receptor was evaluated using [3H]-LSD as radioligand | B | 5.8 | pKi | 1595 | nM | Ki | J Med Chem (2003) 46: 2795-2812 [PMID:12825922] |
| 5-HT6 receptor in Rat [GtoPdb: 11] [UniProtKB: P31388] | ||||||||
| GtoPdb | - | - | 5.8 | pKi | - | - | - | J Pharmacol Exp Ther (1994) 268: 1403-10 [PMID:7908055] |
| 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3155] [GtoPdb: 12] [UniProtKB: P34969] | ||||||||
| ChEMBL | Binding affinity towards human 5-hydroxytryptamine 7 receptor | B | 6.96 | pKi | 110 | nM | Ki | J Med Chem (2003) 46: 2795-2812 [PMID:12825922] |
| ChEMBL | Displacement of [3H]5-HT from human 5-hydroxytryptamine 7 receptor | B | 6.96 | pKi | 110 | nM | Ki | J Med Chem (2003) 46: 2795-2812 [PMID:12825922] |
| ChEMBL | Displacement of [3H]5-HT from human 5HT7 receptor expressed in African green monkey COS7 cell membrane incubated for 30 mins | B | 6.96 | pKi | 110 | nM | Ki | Bioorg Med Chem (2016) 24: 3671-3679 [PMID:27364609] |
| ChEMBL | Displacement of [3H]5-HT from recombinant human 5-HT7 receptor expressed in African green monkey COS7 cells | B | 7 | pKi | 100 | nM | Ki | Eur J Med Chem (2019) 183: 111705-111705 [PMID:31581003] |
| ChEMBL | Non-selective inhibitory activity was determined against 5-hydroxytryptamine 7 receptor | B | 7.7 | pKi | 19.95 | nM | Ki | J Med Chem (2003) 46: 5638-5650 [PMID:14667218] |
| GtoPdb | - | - | 8 | pKi | - | - | - |
Naunyn Schmiedebergs Arch Pharmacol (2001) 363: 620-32 [PMID:11414657]; Br J Pharmacol (1997) 122: 126-32 [PMID:9298538]; J Biol Chem (1993) 268: 23422-6 [PMID:8226867] |
| 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4764] [GtoPdb: 12] [UniProtKB: P32304] | ||||||||
| GtoPdb | - | - | 7.2 | pKi | - | - | - | Mol Pharmacol (1993) 44: 229-36 [PMID:8394987] |
| ChEMBL | Binding affinity towards mouse 5-hydroxytryptamine 7 receptor was evaluated using [3H]5-HT as radioligand | B | 7.2 | pKi | 63 | nM | Ki | J Med Chem (2003) 46: 2795-2812 [PMID:12825922] |
| 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3223] [GtoPdb: 12] [UniProtKB: P32305] | ||||||||
| ChEMBL | Binding affinity towards rat 5-hydroxytryptamine 7 receptor was evaluated using [3H]5-HT as radioligand | B | 7.7 | pKi | 20 | nM | Ki | J Med Chem (2003) 46: 2795-2812 [PMID:12825922] |
| ChEMBL | Binding affinity towards 5-hydroxytryptamine 7 receptor | B | 7.7 | pKi | 19.95 | nM | Ki | Bioorg Med Chem Lett (2000) 10: 1097-1100 [PMID:10843226] |
| GtoPdb | - | - | 8 | pKi | - | - | - |
J Pharmacol Exp Ther (1994) 268: 1403-10 [PMID:7908055]; Proc Natl Acad Sci USA (1993) 90: 8547-51 [PMID:8397408] |
| ChEMBL | Binding affinity towards rat 5-hydroxytryptamine 7 receptor | B | 8 | pKi | 9.9 | nM | Ki | J Med Chem (2003) 46: 2795-2812 [PMID:12825922] |
| sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
| ChEMBL | The compound was tested for affinity towards sigma-3 receptor | B | 6.02 | pIC50 | 954.99 | nM | IC50 | J Med Chem (1994) 37: 4109-4117 [PMID:7990111] |
| Vesicular acetylcholine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2125] [GtoPdb: 1013] [UniProtKB: Q62666] | ||||||||
| ChEMBL | Displacement of [125I]O-iodo-trans-decalinvesamicol from VAChT in Sprague-Dawley rat cerebral membrane after 1 hr by gamma counting | B | 5.99 | pKi | 1033 | nM | Ki | Bioorg Med Chem (2012) 20: 4936-4941 [PMID:22831799] |
| 5-HT1D receptor in Human [GtoPdb: 3] [UniProtKB: P28221] | ||||||||
| GtoPdb | - | - | 6 | pKi | - | - | - |
Proc Natl Acad Sci USA (1992) 89: 3630-4 [PMID:1565658]; Mol Pharmacol (1991) 40: 143-8 [PMID:1652050] |
| D5 receptor in Human [GtoPdb: 218] [UniProtKB: P21918] | ||||||||
| GtoPdb | - | - | 5.3 | pKi | - | - | - | Nature (1991) 350: 614-9 [PMID:1826762] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
