chrysin [Ligand Id: 8789] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL117 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 3-oxoacyl-acyl-carrier protein reductase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4513] [UniProtKB: Q965D6] | ||||||||
| ChEMBL | Inhibition of FabG | B | 5 | pIC50 | 10000 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| aldo-keto reductase family 1 member B/Aldo-keto reductase family 1 member B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121] | ||||||||
| ChEMBL | Inhibition of human recombinant aldose reductase | B | 5.07 | pIC50 | 8500 | nM | IC50 | Bioorg Med Chem (2008) 16: 3245-3254 [PMID:18165015] |
| ChEMBL | Inhibition of aldose reductase by spectrophotometric analysis | B | 5.11 | pIC50 | 7780 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 1222-1226 [PMID:21256748] |
| Aldo-keto reductase family 1 member B1 in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3081] [UniProtKB: P16116] | ||||||||
| ChEMBL | Inhibition of aldose reductase from calf lense by AR assay | B | 5.11 | pIC50 | 7790 | nM | IC50 | Bioorg Med Chem (2010) 18: 3020-3025 [PMID:20395149] |
| CYP19A1/Aromatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
| ChEMBL | Apparent Ki against human aromatase | B | 5.59 | pKi | 2600 | nM | Ki | J Med Chem (2004) 47: 4032-4040 [PMID:15267241] |
| ChEMBL | Inhibition of aromatase | B | 5.82 | pIC50 | 1500 | nM | IC50 | Bioorg Med Chem (2012) 20: 2603-2613 [PMID:22444875] |
| ChEMBL | Inhibition of aromatase in human placental microsomes | B | 6 | pIC50 | 1000 | nM | IC50 | Eur J Med Chem (2017) 137: 365-438 [PMID:28622580] |
| ChEMBL | Inhibition of aromatase (unknown origin) | B | 6.1 | pIC50 | 800 | nM | IC50 | Medchemcomm (2013) 4: 1590-1596 |
| ChEMBL | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins followed by substrate addition and measured after 16 hrs by UV/vis-spectrophotometry | B | 6.16 | pIC50 | 699.84 | nM | IC50 | Eur J Med Chem (2017) 137: 365-438 [PMID:28622580] |
| ChEMBL | Inhibition of aromatase (unknown origin) | B | 6.3 | pIC50 | 500 | nM | IC50 | Eur J Med Chem (2015) 102: 375-386 [PMID:26301554] |
| ChEMBL | Inhibition of human placental microsome CYP19 | B | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 3050-3064 [PMID:20413308] |
| ABCB1/ATP-dependent translocase ABCB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
| ChEMBL | Binding affinity to ABCB1 nucleotide binding domain 2 | B | 5.05 | pKd | 8912.51 | nM | Kd | Eur J Med Chem (2011) 46: 4078-4088 [PMID:21723648] |
| ABCG2/Broad substrate specificity ATP-binding cassette transporter ABCG2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] | ||||||||
| ChEMBL | Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining | B | 5.59 | pIC50 | 2600 | nM | IC50 | Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800] |
| ChEMBL | Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining | B | 5.82 | pIC50 | 1500 | nM | IC50 | Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800] |
| Calmodulin-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6093] [UniProtKB: P0DP23] | ||||||||
| ChEMBL | Inhibition of human recombinant calmodulin assessed as inhibition of calmodulin-sensitive cAMP phosphodiesterase activation after 15 mins by spectrophotometric analysis | B | 4.48 | pIC50 | 33430 | nM | IC50 | Bioorg Med Chem (2011) 19: 542-546 [PMID:21129983] |
| carbonic anhydrase 1/Carbonic anhydrase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.26 | pKi | 5490 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.27 | pKi | 5420 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| carbonic anhydrase 12/Carbonic anhydrase 12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.04 | pKi | 9070 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.05 | pKi | 8960 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 7.46 | pKi | 34.7 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| carbonic anhydrase 2/Carbonic anhydrase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.36 | pKi | 4380 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.37 | pKi | 4310 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| carbonic anhydrase 4/Carbonic anhydrase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 6.27 | pKi | 537.75 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| carbonic anhydrase 7/Carbonic anhydrase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 6.77 | pKi | 171.41 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| carbonic anhydrase 9/Carbonic anhydrase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790] | ||||||||
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 12 hrs by stopped flow CO2 hydration assay | B | 5.57 | pKi | 2710 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| ChEMBL | Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay | B | 5.58 | pKi | 2650 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 3063-3066 [PMID:22487176] |
| CBR1/Carbonyl reductase [NADPH] 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5586] [GtoPdb: 1383] [UniProtKB: P16152] | ||||||||
| ChEMBL | Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate | B | 6.96 | pKi | 110 | nM | Ki | Bioorg Med Chem (2009) 17: 530-536 [PMID:19097799] |
| ChEMBL | Binding affinity to human recombinant carbonyl reductase 1 expressed in Escherichia coli assessed as NADPH oxidation using isatin as substrate | B | 6.17 | pIC50 | 670 | nM | IC50 | Bioorg Med Chem (2009) 17: 530-536 [PMID:19097799] |
| casein kinase 2, alpha 1 polypeptide subunit/casein kinase 2, beta polypeptide subunit/Casein kinase 2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3988629] [GtoPdb: 1549, 1551] [UniProtKB: P19139, P67874] | ||||||||
| ChEMBL | Inhibition of rat liver CK2 phosphorylation using RRRADDSDDDDD as substrate in presence of [32p]-ATP | B | 5.05 | pIC50 | 9000 | nM | IC50 | J Med Chem (2023) 66: 2257-2281 [PMID:36745746] |
| cyclin dependent kinase 1/Cyclin-dependent kinase 1/cyclin B in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094127] [GtoPdb: 1961] [UniProtKB: O95067, P06493, P14635, Q8WWL7] | ||||||||
| ChEMBL | Inhibition of cyclin-dependent kinase 1/cyclinB | B | 5.15 | pIC50 | 7100 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
| cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535, Q15078] | ||||||||
| ChEMBL | Inhibition of Cyclin-dependent kinase 5-p25nck5a | B | 5.51 | pIC50 | 3100 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
| cyclin dependent kinase 6/Cyclin-dependent kinase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2508] [GtoPdb: 1978] [UniProtKB: Q00534] | ||||||||
| ChEMBL | Inhibition of human cyclin-dependent kinase 6 complex with a virus-encoded cyclin from herpesvirus saimiri (Vcyclin) | B | 5.22 | pIC50 | 6000 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
| ChEMBL | Inhibition of Homo sapiens (human) cyclin-dependent kinase 6 | B | 5.22 | pIC50 | 6000 | nM | IC50 | Med Chem Res (2010) 19: 817-835 |
| CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
| ChEMBL | Inhibition of CYP1B1 (unknown origin) | B | 7.8 | pKi | 16 | nM | Ki | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| GtoPdb | - | - | 7.8 | pKi | 16 | nM | Ki | Bioorg Med Chem (2011) 19: 2842-9 [PMID:21482471] |
| ChEMBL | Inhibition of recombinant human CYP1B1 expressed in supersomes using ethoxyresorufin as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH by fluorimetric analysis | B | 6.55 | pIC50 | 280 | nM | IC50 | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| ChEMBL | Inhibition of human CYP1B1 by EROD assay | B | 7.62 | pIC50 | 24 | nM | IC50 | Bioorg Med Chem (2010) 18: 6310-6315 [PMID:20696580] |
| DNA polymerase eta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5542] [UniProtKB: Q9Y253] | ||||||||
| ChEMBL | Inhibition of C-terminal 6xHis-tagged human DNA polymerase eta (1 to 511 residues) expressed in Escherichia coli BL21 DE3 using 5'-IRD700-GCAGGTCGACTCCAAAG-3' primer/ 5'-TCGGTACCGGGTTAGCCTTTGGAGTCGACCTGC-3' template as DNA substrate incubated for 60 mins in presence of Mg2+ by bromophenol blue staining based assay | B | 4.83 | pIC50 | 14800 | nM | IC50 | Eur J Med Chem (2023) 248: 115044-115044 [PMID:36621139] |
| GABAA receptor π subunit/GABAA receptor δ subunit/GABAA receptor α1 subunit/GABAA receptor β1 subunit/GABAA receptor γ2 subunit/GABAA receptor β3 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor α2 subunit/GABAA receptor β2 subunit/GABAA receptor α4 subunit/GABAA receptor ε subunit/GABAA receptor α6 subunit/GABAA receptor γ1 subunit/GABAA receptor γ3 subunit/GABAA receptor θ subunit/GABA-A receptor; anion channel in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2093872] [GtoPdb: 419, 416, 404, 410, 414, 412, 408, 406, 405, 411, 407, 417, 409, 413, 415, 418] [UniProtKB: O00591, O14764, P14867, P18505, P18507, P28472, P31644, P34903, P47869, P47870, P48169, P78334, Q16445, Q8N1C3, Q99928, Q9UN88] | ||||||||
| ChEMBL | Binding affinity towards benzodiazepine site in GABAA receptor | B | 5.52 | pKi | 3019.95 | nM | Ki | J Med Chem (2001) 44: 1883-1891 [PMID:11384234] |
| GABAA receptor π subunit/GABAA receptor β1 subunit/GABAA receptor δ subunit/GABAA receptor γ2 subunit/GABAA receptor α5 subunit/GABAA receptor α3 subunit/GABAA receptor γ1 subunit/GABAA receptor α2 subunit/GABAA receptor α4 subunit/GABAA receptor γ3 subunit/GABAA receptor α6 subunit/GABAA receptor α1 subunit/GABAA receptor β3 subunit/GABAA receptor β2 subunit/GABAA receptor ε subunit/GABA-A receptor; anion channel in Rat (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL1907607] [GtoPdb: 419, 410, 416, 414, 408, 406, 413, 405, 407, 415, 409, 404, 412, 411, 417] [UniProtKB: O09028, P15431, P18506, P18508, P19969, P20236, P23574, P23576, P28471, P28473, P30191, P62813, P63079, P63138, Q91ZM7, Q9ES14] | ||||||||
| ChEMBL | In vitro affinity against Benzodiazepine receptor binding to rat cortical membranes (using [3H]- flumazenil as radioligand). | B | 6.04 | pKi | 920 | nM | Ki | J Med Chem (1999) 42: 4343-4350 [PMID:10543878] |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 with custom peptide substrate | B | 6.27 | pIC50 | 534 | nM | IC50 | HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators |
| Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1] | ||||||||
| ChEMBL | Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743] |
| ChEMBL | Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743] |
| ChEMBL | Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed by addition of Flag-LEDGF/p75 for 1 hr by AlphaScreen assay | B | 5.85 | pIC50 | 1400 | nM | IC50 | Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743] |
| Lactoylglutathione lyase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424] [UniProtKB: Q04760] | ||||||||
| ChEMBL | Inhibition constant of compound against binding of Yeast Glyoxalase I | B | 4.08 | pKi | 83176.38 | nM | Ki | J Med Chem (1988) 31: 1396-1406 [PMID:3290487] |
| Neuraminidase in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2051] [UniProtKB: P03468] | ||||||||
| ChEMBL | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 1.06 | pIC50 | 1.06 | - | logIC50 | Eur J Med Chem (2010) 45: 1724-1730 [PMID:20116898] |
| Neuraminidase in Influenza A virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6135] [UniProtKB: B4URF0] | ||||||||
| ChEMBL | Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.28 | pIC50 | 52900 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
| ChEMBL | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.34 | pIC50 | 45700 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
| ChEMBL | Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.48 | pIC50 | 33360 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
| Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231] | ||||||||
| ChEMBL | Binding affinity to GST tagged PPARgamma LBD (unknown origin) preincubated in shaker for 30 sec followed by incubation for additional 4 hrs at room temperature by LanthaScreen TR-FRET competitive binding assay | B | 4.7 | pKi | 19850 | nM | Ki | Eur J Med Chem (2024) 276: 116728-116728 [PMID:39089002] |
| ChEMBL | Binding affinity to PPARgamma (unknown origin) by TR-FRET-based competitive binding assay | B | 5.1 | pKi | 7860 | nM | Ki | ACS Med Chem Lett (2023) 14: 425-431 [PMID:37077388] |
| ChEMBL | Binding affinity to GST tagged PPARgamma LBD (unknown origin) preincubated in shaker for 30 sec followed by incubation for additional 4 hrs at room temperature by LanthaScreen TR-FRET competitive binding assay | B | 4.26 | pIC50 | 55310 | nM | IC50 | Eur J Med Chem (2024) 276: 116728-116728 [PMID:39089002] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 4.53 | pIC50 | 29800 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| Prostaglandin G/H synthase 1 in Sheep (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2949] [UniProtKB: P05979] | ||||||||
| ChEMBL | Inhibition of ovine COX1 using arachidonic acid as substrate incubated for 10 mins prior to substrate addition measured after 2 mins by spectrophotometry | B | 4.41 | pIC50 | 39300 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 77-82 [PMID:24332492] |
| COX-2 /Prostaglandin G/H synthase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL230] [GtoPdb: 1376] [UniProtKB: P35354] | ||||||||
| ChEMBL | Inhibition of human recombinant COX2 using arachidonic acid as substrate incubated for 10 mins prior to substrate addition measured after 2 mins by spectrophotometry | B | 4.59 | pIC50 | 25500 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 77-82 [PMID:24332492] |
| proteasome 20S subunit beta 5/Proteasome Macropain subunit MB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4662] [GtoPdb: 2406] [UniProtKB: P28074] | ||||||||
| ChEMBL | Inhibition of chymotrypsin-like activity of human 26S proteasome in human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Leu-AMC as substrate after 24 hrs by fluorescence based method | B | 5.21 | pIC50 | 6100 | nM | IC50 | Eur J Med Chem (2019) 167: 291-311 [PMID:30776692] |
| ChEMBL | Inhibition of chymotrypsin-like activity of purified human 20S proteasome expressed in human Jurkat cells assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 2 hrs by fluorescence based method | B | 5.31 | pIC50 | 4900 | nM | IC50 | Eur J Med Chem (2019) 167: 291-311 [PMID:30776692] |
| fms related receptor tyrosine kinase 3/Receptor-type tyrosine-protein kinase FLT3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888] | ||||||||
| ChEMBL | Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1768-1770 [PMID:23411073] |
| Seed linoleate 13S-lipoxygenase-1 in Glycine max (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4586] [UniProtKB: P08170] | ||||||||
| ChEMBL | Mixed noncompetitive type inhibition of soybean LOX-1 using linoleic acid as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk plot analysis | B | 4.71 | pKi | 19400 | nM | Ki | Eur J Med Chem (2014) 72: 137-145 [PMID:24368208] |
| Pim-1 proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase pim-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2147] [GtoPdb: 2158] [UniProtKB: P11309] | ||||||||
| ChEMBL | Inhibition of PIM1 kinase | B | 1.18 | pIC50 | -1.18 | uM | -Log IC50 | Bioorg Med Chem (2007) 15: 6463-6473 [PMID:17637507] |
| OATP2B1/Solute carrier organic anion transporter family member 2B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743124] [GtoPdb: 1224] [UniProtKB: O94956] | ||||||||
| ChEMBL | Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate incubated for 2 mins by BCA assay | B | 4.54 | pIC50 | 29000 | nM | IC50 | RSC Med Chem (2023) 14: 890-898 [PMID:37252098] |
| ChEMBL | Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate incubated for 2 mins by BCA assay | B | 4.54 | pIC50 | 28840.32 | nM | IC50 | RSC Med Chem (2023) 14: 890-898 [PMID:37252098] |
| xanthine dehydrogenase/Xanthine dehydrogenase/oxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989] | ||||||||
| ChEMBL | Inhibition of XO (unknown origin) using xanthine as substrate preincubated for 3 hrs followed by substrate addition by UV-Vis spectrophotometric analysis | B | 5.9 | pIC50 | 1260 | nM | IC50 | J Med Chem (2023) 66: 14474-14493 [PMID:37908076] |
| ChEMBL | Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry | B | 6.08 | pIC50 | 840 | nM | IC50 | J Nat Prod (1998) 61: 71-76 [PMID:9461655] |
| Xanthine dehydrogenase/oxidase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3649] [UniProtKB: P80457] | ||||||||
| ChEMBL | Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 3 hrs followed by substrate addition by UV-Vis spectrophotometric assay | B | 5.9 | pIC50 | 1260 | nM | IC50 | Eur J Med Chem (2017) 135: 491-516 [PMID:28478180] |
| CYP1A1 in Human [GtoPdb: 1318] [UniProtKB: P04798] | ||||||||
| GtoPdb | - | - | 7.38 | pKi | 42 | nM | Ki | Bioorg Med Chem (2011) 19: 2842-9 [PMID:21482471] |
ChEMBL data shown on this page come from version 36:
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]
