orteronel [Ligand Id: 13853] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL1921976 (Orteronel, TAK-700) |
|---|
There should be some charts here, you may need to enable JavaScript!
|
| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| CYP17A1/Cytochrome P450 17A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3522] [GtoPdb: 1361] [UniProtKB: P05093] | ||||||||
| ChEMBL | Binding affinity human CYP17A1 | B | 7.4 | pKd | 40 | nM | Kd | J Med Chem (2020) 63: 6513-6522 [PMID:32223238] |
| ChEMBL | Inhibition of human membrane bound C-terminal His4-tagged CYP17A1 delta19H mutant assessed as reduction in progesterone hydroxylation preincubated for 3 mins followed by NADPH addition measured after 10 mins in presence of NADPH-cytochrome p450 reductase by HPLC method | B | 5.33 | pIC50 | 4730 | nM | IC50 | US-20160031929-A1. Inhibitors of cyp17a1 (2016) |
| ChEMBL | Inhibition of human CYP17A1 | B | 6.57 | pIC50 | 270 | nM | IC50 | J Med Chem (2020) 63: 6513-6522 [PMID:32223238] |
| GtoPdb | Measuring inhibition of Inhibition of 17,20-lyase activity of recombinant hCYP17A1 | - | 7.72 | pIC50 | 19 | nM | IC50 | Bioorg Med Chem (2011) 19: 6383-99 [PMID:21978946] |
| ChEMBL | Inhibition of 17,20-lyase of recombinant human CYP17A1 using [1,2-3H]-17a-hydroxypregnenolone as substrate after 15 mins by TLC analysis | B | 7.72 | pIC50 | 19 | nM | IC50 | Bioorg Med Chem (2011) 19: 6383-6399 [PMID:21978946] |
| CYP17A1/Cytochrome P450 17A1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4430] [GtoPdb: 1361] [UniProtKB: P11715] | ||||||||
| ChEMBL | Inhibition of 17,20-lyase activity of Sprague-Dawley rat testicular microsomal CYP17A1 using [1,2-3H]-17a-hydroxyprogesterone as substrate after 15 mins by TLC analysis | B | 7.32 | pIC50 | 48 | nM | IC50 | Bioorg Med Chem (2011) 19: 6383-6399 [PMID:21978946] |
ChEMBL data shown on this page come from version 35:
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]
