dexfadrostat [Ligand Id: 13884] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL287677 (Dexfadrostat, Fadrozole, (r)-, R-Fadrozole) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| CYP11B1/Cytochrome P450 11B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1908] [GtoPdb: 1359] [UniProtKB: P15538] | ||||||||
| ChEMBL | Inhibition of human CYP11B1 expressed in chinese hamster V79 cells | B | 6.92 | pIC50 | 119 | nM | IC50 | J Med Chem (2010) 53: 1712-1725 [PMID:20121113] |
| ChEMBL | Inhibition of human CYP11B1 expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticosterone for 3 hrs by HPLC analysis | B | 6.92 | pIC50 | 119 | nM | IC50 | J Med Chem (2014) 57: 5011-5022 [PMID:24422519] |
| GtoPdb | - | - | 7.06 | pIC50 | 88.1 | nM | IC50 | J Steroid Biochem Mol Biol (2023) 235: 106409 [PMID:37827219] |
| ChEMBL | Inhibition of human recombinant CYP11B1 by cell-based assay | B | 8 | pIC50 | 9.9 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 4324-4327 [PMID:20615692] |
| ChEMBL | Inhibition of human recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay | B | 8.02 | pIC50 | 9.5 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1203-1207 [PMID:24900631] |
| CYP11B1/Cytochrome P450 11B1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4970] [GtoPdb: 1359] [UniProtKB: P15393] | ||||||||
| ChEMBL | Inhibition of rat recombinant CYP11B1 using 11-deoxycortisol as substrate by cell-based assay | B | 6.16 | pIC50 | 686 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1203-1207 [PMID:24900631] |
| CYP11B2/Cytochrome P450 11B2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2722] [GtoPdb: 1360] [UniProtKB: P19099] | ||||||||
| ChEMBL | Inhibition of CYP11B2 in human NCI-H295R cells assessed as inhibition of angiotensin-2-induced aldosterone production after 24 hrs by RIA | B | 7.52 | pIC50 | 30 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1203-1207 [PMID:24900631] |
| GtoPdb | - | - | 7.97 | pIC50 | 10.8 | nM | IC50 | J Steroid Biochem Mol Biol (2023) 235: 106409 [PMID:37827219] |
| ChEMBL | Inhibition of human CYP11B2 expressed in chinese hamster V79 cells | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2010) 53: 1712-1725 [PMID:20121113] |
| ChEMBL | Inhibition of human aldosterone synthase expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticosterone for 1hr by HPLC analysis | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2014) 57: 5011-5022 [PMID:24422519] |
| ChEMBL | Inhibition of human CYP11B2 expressed in HEK293A cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition measured after 1 hr by HTRF assay | B | 8.4 | pIC50 | 4 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 1902-1906 [PMID:28359792] |
| ChEMBL | Inhibition of human recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay | B | 8.74 | pIC50 | 1.8 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1203-1207 [PMID:24900631] |
| ChEMBL | Inhibition of human recombinant CYP11B2 by cell-based assay | B | 8.8 | pIC50 | 1.6 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 4324-4327 [PMID:20615692] |
| CYP11B2/Cytochrome P450 11B2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3237] [GtoPdb: 1360] [UniProtKB: P30099] | ||||||||
| ChEMBL | Inhibition of rat recombinant CYP11B2 using 11-deoxycorticosterone as substrate by cell-based assay | B | 6.93 | pIC50 | 118 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1203-1207 [PMID:24900631] |
| CYP11B2 in Human [GtoPdb: 1360] [UniProtKB: P19099] | ||||||||
| GtoPdb | - | - | 7.97 | pIC50 | 10.8 | nM | IC50 | J Steroid Biochem Mol Biol (2023) 235: 106409 [PMID:37827219] |
| CYP11B2/Cytochrome P450 11B2, mitochondrial in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3621020] [GtoPdb: 1360] [UniProtKB: P15539] | ||||||||
| ChEMBL | Inhibition of mouse CYP11B2 expressed in HEK293 cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition after 2 hrs by HTRF assay | B | 5.68 | pIC50 | 2074 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 1902-1906 [PMID:28359792] |
| CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
| ChEMBL | Inhibition of human CYP19 preincubated for 10 mins followed by protein addition measured after 90 mins by fluorimetric analysis | B | 5.22 | pIC50 | 6000 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1203-1207 [PMID:24900631] |
| ChEMBL | Inhibition of human placental microsome CYP19 | B | 5.64 | pIC50 | 2290.87 | nM | IC50 | J Med Chem (2005) 48: 7282-7289 [PMID:16279787] |
| ChEMBL | Inhibition of CYP19A1 (unknown origin) | B | 6.1 | pIC50 | 794.33 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 979-984 [PMID:29254646] |
| ChEMBL | In vitro inhibition of human placental Cytochrome P450 19A1 | B | 6.17 | pIC50 | 680 | nM | IC50 | J Med Chem (1993) 36: 1393-1400 [PMID:8496907] |
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]
