biochanin A [Ligand Id: 2829] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL131921 (NSC-123538) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5983] [UniProtKB: O60218] | ||||||||
| ChEMBL | Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubated for 15 mins by HPLC method | B | 4.44 | pIC50 | 36100 | nM | IC50 | J Nat Prod (2015) 78: 2666-2674 [PMID:26529431] |
| carbonic anhydrase 1/Carbonic anhydrase I 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] |
| carbonic anhydrase 2/Carbonic anhydrase II 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] |
| carbonic anhydrase 4/Carbonic anhydrase IV 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 | 5.15 | pKi | 7078.5 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| carbonic anhydrase 7/Carbonic anhydrase VII 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 | 6.43 | pKi | 371.5 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| 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 | 7.28 | pKi | 52.5 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
| 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 | 5.69 | pKi | 2030 | 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 | 4.9 | pIC50 | 12710 | nM | IC50 | Bioorg Med Chem (2009) 17: 530-536 [PMID:19097799] |
| CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
| ChEMBL | Apparent Ki against human aromatase | B | 4.92 | pKi | 12000 | nM | Ki | J Med Chem (2004) 47: 4032-4040 [PMID:15267241] |
| ChEMBL | Inhibitory constant against human placental atomatase at pH 7.0 and 37 degree C | B | 4.92 | pKi | 12000 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 4063-4070 [PMID:15911319] |
| ChEMBL | Inhibition of human placental microsome aromatase using [1beta,2beta3H]androstenedione as substrate after 15 mins in presence of NADPH by liquid scintillation counting method | B | 4.92 | pKi | 12000 | nM | Ki | Eur J Med Chem (2019) 177: 116-143 [PMID:31129450] |
| ChEMBL | Inhibitory concentration against human placental aromatase | B | 4.47 | pIC50 | 34000 | nM | IC50 | J Med Chem (2004) 47: 4032-4040 [PMID:15267241] |
| ChEMBL | Inhibitory concentration against human placental aromatase by deutirium oxide release | B | 4.47 | pIC50 | 34000 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 4063-4070 [PMID:15911319] |
| ChEMBL | Inhibitory concentration against human placental aromatase as logIC50 | B | 4.53 | pIC50 | 4.53 | nM | Log IC50 | J Med Chem (2004) 47: 4032-4040 [PMID:15267241] |
| ChEMBL | Inhibition of human placental microsome CYP19 | B | 7.99 | pIC50 | 10.2 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 3050-3064 [PMID:20413308] |
| CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
| ChEMBL | Inhibition of CYP1B1 in human liver microsomes coexpressing recombinant human cytochrome P450 oxidoreductase using 7-ethoxyresorufin as substrate after 3 mins in presence of NADP+ by fluorescence assay | B | 5.72 | pKi | 1900 | nM | Ki | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
| hydroxysteroid 17-beta dehydrogenase 2/Estradiol 17-beta-dehydrogenase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059] | ||||||||
| ChEMBL | Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol | B | 5 | pIC50 | 9900 | nM | IC50 | J Med Chem (2008) 51: 4188-4199 [PMID:18533708] |
| ChEMBL | Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation counting method | B | 5 | pIC50 | 9900 | nM | IC50 | J Nat Prod (2017) 80: 965-974 [PMID:28319389] |
| Fatty acid synthase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4512] [UniProtKB: Q965D7] | ||||||||
| ChEMBL | Inhibition of FabZ | B | 5.1 | pIC50 | 8000 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
| Pancreatic triacylglycerol lipase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1687677] [UniProtKB: P00591] | ||||||||
| ChEMBL | Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 3455-3457 [PMID:26227773] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 4.46 | pIC50 | 34300 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
ChEMBL data shown on this page come from version 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
