ipsapirone [Ligand Id: 42] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL8412 (Ipsapirona, Ipsapirone) |
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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 affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay | B | 7.06 | pKi | 87 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 2495-2500 [PMID:9873568] |
| Alpha-1a adrenergic receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4892] [UniProtKB: P18130] | ||||||||
| ChEMBL | Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| α1B-adrenoceptor/Alpha-1b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL232] [GtoPdb: 23] [UniProtKB: P35368] | ||||||||
| ChEMBL | Binding affinity against human Alpha-1b adrenergic receptor was evaluated by cloned receptor binding assay | B | 6.66 | pKi | 220 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 2495-2500 [PMID:9873568] |
| α1D-adrenoceptor/Alpha-1d adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL223] [GtoPdb: 24] [UniProtKB: P25100] | ||||||||
| ChEMBL | Binding affinity against human Alpha-1d adrenergic receptor was evaluated by cloned receptor binding assay | B | 7.34 | pKi | 46 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 2495-2500 [PMID:9873568] |
| Alpha-2a adrenergic receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4744] [UniProtKB: Q28838] | ||||||||
| ChEMBL | Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex | B | 5.55 | pIC50 | 2800 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| Dopamine D1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2967] [UniProtKB: Q95136] | ||||||||
| ChEMBL | Displacement of [3H]raclopride from Dopamine receptor D1 of calf striatum | B | 4.92 | pIC50 | 12000 | nM | IC50 | J Med Chem (1996) 39: 4285-4298 [PMID:8863806] |
| ChEMBL | Binding affinity towards dopamine receptor D1 in calf striatum | B | 4.92 | pIC50 | 12000 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | Displacement of [3H]raclopride from human cloned D2 receptor expressed in HEK293 cells by radioligand binding assay | B | 5.91 | pKi | 1224 | nM | Ki | Bioorg Med Chem Lett (2019) 29: 126667-126667 [PMID:31547945] |
| ChEMBL | Displacement of [3H]-raclopride from human D2R expressed in human HEK293 cells | B | 5.91 | pKi | 1224 | nM | Ki | Bioorg Med Chem Lett (2021) 42: 128028-128028 [PMID:33839253] |
| ChEMBL | Binding affinity to D2 receptor by radioligand binding assay | B | 6.96 | pKi | 110 | nM | Ki | J Med Chem (2006) 49: 3116-3135 [PMID:16722631] |
| D2 receptor/Dopamine D2 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL339] [GtoPdb: 215] [UniProtKB: P61169] | ||||||||
| ChEMBL | Displacement of [3H]spiperone from dopamine D2 receptor of rat striatal membranes | B | 5.54 | pIC50 | 2900 | nM | IC50 | J Med Chem (2004) 47: 4677-4683 [PMID:15341483] |
| D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | Inhibition of dopamine D3 receptor | B | 5.92 | pIC50 | 1200 | nM | IC50 | J Med Chem (2004) 47: 4677-4683 [PMID:15341483] |
| D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917] | ||||||||
| ChEMBL | Inhibition of dopamine D4 receptor | B | 5.74 | pIC50 | 1800 | nM | IC50 | J Med Chem (2004) 47: 4677-4683 [PMID:15341483] |
| 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 | 8.4 | pKd | 3.98 | nM | Kd | J Med Chem (2009) 52: 6107-6125 [PMID:19754201] |
| ChEMBL | Displacement of [3H]5-CT from human recombinant 5-HT1A receptor expressed in CHO cells measured after 60 to 90 mins by radioligand completion assay relative to control | B | 7.3 | pKi | 49.7 | nM | Ki | J Med Chem (2021) 64: 13510-13523 [PMID:34467758] |
| ChEMBL | Displacement of [3H]-5-OH-DPAT from human 5-HT1AR expressed in human HEK293 cells | B | 8.1 | pKi | 7.9 | nM | Ki | Bioorg Med Chem Lett (2021) 42: 128028-128028 [PMID:33839253] |
| ChEMBL | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells | B | 8.22 | pKi | 6 | nM | Ki | J Med Chem (2006) 49: 3116-3135 [PMID:16722631] |
| GtoPdb | - | - | 8.8 | pKi | - | - | - |
Eur J Pharmacol (1998) 355: 245-56 [PMID:9760039]; Naunyn Schmiedebergs Arch Pharmacol (1998) 357: 205-17 [PMID:9550290] |
| ChEMBL | Displacement of [3H]8-OH-DAPT from human recombinant 5-HT1A receptor expressed in COS7 cells measured after 60 to 90 mins by radioligand completion assay relative to control | B | 9.62 | pKi | 0.24 | nM | Ki | J Med Chem (2021) 64: 13510-13523 [PMID:34467758] |
| ChEMBL | Compound was tested for its potency against human 5-hydroxytryptamine 1A receptor expressed in CHO cells | F | 7.17 | pEC50 | 67.61 | nM | EC50 | Bioorg Med Chem Lett (1998) 8: 2457-2462 [PMID:9873561] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3737] [GtoPdb: 1] [UniProtKB: Q64264] | ||||||||
| ChEMBL | Compound was tested for binding affinity to 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT as a radioligand | B | 7.92 | pKi | 12.1 | nM | Ki | Bioorg Med Chem Lett (1992) 2: 1703-1706 |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327] | ||||||||
| ChEMBL | In vitro ability to inhibit [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat hippocampus | B | 8 | pKi | 10 | nM | Ki | J Med Chem (1989) 32: 1024-1033 [PMID:2565399] |
| ChEMBL | In vitro inhibition of [3H]spiperone binding to 5-hydroxytryptamine 1A receptor from rat hippocampal tissue. | B | 8 | pKi | 10 | nM | Ki | J Med Chem (1988) 31: 1382-1392 [PMID:2898533] |
| ChEMBL | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (2008) 51: 4529-4538 [PMID:18598015] |
| ChEMBL | Displacement of radioligand [3H]2-(di-N-propylamino)-8-hydroxytetralin from 5-hydroxytryptamine 1A receptor in rat frontal cortex homogenate | B | 8.26 | pKi | 5.5 | nM | Ki | J Med Chem (1993) 36: 2751-2760 [PMID:8410989] |
| ChEMBL | Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor of rat frontal cortex membranes | B | 8.26 | pKi | 5.5 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 2457-2462 [PMID:9873561] |
| ChEMBL | Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat brain hippocampus by radioligand binding assay | B | 8.47 | pKi | 3.4 | nM | Ki | Bioorg Med Chem Lett (2019) 29: 126667-126667 [PMID:31547945] |
| ChEMBL | Inhibitory affinity constant against 5-hydroxytryptamine 1A receptor | B | 8.47 | pKi | 3.4 | nM | Ki | J Med Chem (1995) 38: 1701-1710 [PMID:7752194] |
| ChEMBL | In vitro ability to displace [3H]8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus | B | 8.47 | pKi | 3.4 | nM | Ki | J Med Chem (1992) 35: 2369-2374 [PMID:1535661] |
| ChEMBL | Binding affinity to 5-hydroxytryptamine 1A receptor in rat hippocampus membranes,3H-8-OH-DPAT and buspirone for nonspecific binding (NSB) | B | 7.46 | pIC50 | 35 | nM | IC50 | J Med Chem (1996) 39: 4285-4298 [PMID:8863806] |
| ChEMBL | Binding affinity against 5-hydroxytryptamine 1A (5-HT1A) receptor in rat hippocampus membranes | B | 7.46 | pIC50 | 35 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| ChEMBL | Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells | B | 8.09 | pIC50 | 8.2 | nM | IC50 | J Med Chem (2004) 47: 4677-4683 [PMID:15341483] |
| 5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564] | ||||||||
| ChEMBL | Binding affinity to 5-HT1B receptors using rat cortex+striatum + globus pallidus,[3H]-5-OH-tryptamine, and serotonin for NSB | B | 4.3 | pIC50 | 50000 | nM | IC50 | J Med Chem (1996) 39: 4285-4298 [PMID:8863806] |
| ChEMBL | Binding affinity for 5-hydroxytryptamine 1B receptor in rat cortex, striatum and globus pallidus | B | 4.3 | pIC50 | 50000 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| ChEMBL | Binding affinity towards 5-HT1B was determined | B | 4.59 | pIC50 | 26000 | nM | IC50 | J Med Chem (1987) 30: 1-12 [PMID:3543362] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO cells | B | 4.82 | pKi | 14980 | nM | Ki | Bioorg Med Chem Lett (2021) 42: 128028-128028 [PMID:33839253] |
| Serotonin 2a (5-HT2a) receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3446] [UniProtKB: Q75Z89] | ||||||||
| ChEMBL | Binding affinity towards 5-hydroxytryptamine 2 receptor in calf frontal cortex | B | 5.12 | pIC50 | 7500 | nM | IC50 | J Med Chem (1994) 37: 1779-1793 [PMID:7912735] |
| 5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406] | ||||||||
| ChEMBL | Displacement of [3H]-LSD from human 5-HT6R expressed in human HEK293 cells | B | 4.77 | pKi | 16800 | nM | Ki | Bioorg Med Chem Lett (2021) 42: 128028-128028 [PMID:33839253] |
| 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3155] [GtoPdb: 12] [UniProtKB: P34969] | ||||||||
| ChEMBL | Displacement of [3H]-5CT from human 5-HT7R expressed in human HEK293 cells | B | 5.85 | pKi | 1406 | nM | Ki | Bioorg Med Chem Lett (2021) 42: 128028-128028 [PMID:33839253] |
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]
