ChEMBL ligand: CHEMBL69367
CYP26A1/Cytochrome P450 26A1 in Human [ChEMBL: CHEMBL5141] [GtoPdb: 1366] [UniProtKB: O43174] There should be some charts here, you may need to enable JavaScript!
CYP3A4/Cytochrome P450 3A4 in Human [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] There should be some charts here, you may need to enable JavaScript!
Retinoic acid receptor-α/Retinoic acid receptor alpha in Human [ChEMBL: CHEMBL2055] [GtoPdb: 590] [UniProtKB: P10276] There should be some charts here, you may need to enable JavaScript!
Retinoic acid receptor-β/Retinoic acid receptor beta in Human [ChEMBL: CHEMBL2008] [GtoPdb: 591] [UniProtKB: P10826] There should be some charts here, you may need to enable JavaScript!
Retinoic acid receptor-γ/Retinoic acid receptor gamma in Human [ChEMBL: CHEMBL2003] [GtoPdb: 592] [UniProtKB: P13631] 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
CYP26A1/Cytochrome P450 26A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5141] [GtoPdb: 1366] [UniProtKB: O43174]
ChEMBL	Inhibition Assay: Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percent activity remaining in the presence of the inhibitor in comparison to the solvent only control was quantified.	B	5.19	pIC50	6500	nM	IC50	US-9963439-B2. Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase (2018)
CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684]
ChEMBL	Inhibition Assay: Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at their previously determined Km values (CYP2C8: paclitaxel, 4 μM; CYP2C9: diclofenac, 5 μM; CYP3A4: midazolam, 0.5 μM). Incubations contained 0.1 mg/mL human liver microsomes, 3 mM MgCl2, probe substrate and various concentrations of inhibitor (12-point IC50 curve) in 100 mM potassium phosphate buffer (pH 7.4). Concentrations of organic solvents were kept to <1% (v/v). All incubations were pre-incubated at 37° C. for 5 minutes prior to addition of 1 mM NADPH (final concentration). Incubations were stopped after 5 (CYP3A4) or 15 minutes (CYP2C8 and CYP2C9) with one volume (v/v) of ice-cold acetonitrile containing 0.1 μM tolbutamide as an internal standard. All samples were vortexed and centrifuged prior to LC-MS/MS analysis.	B	5.64	pIC50	2300	nM	IC50	US-9963439-B2. Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase (2018)
Retinoic acid receptor-α/Retinoic acid receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2055] [GtoPdb: 590] [UniProtKB: P10276]
ChEMBL	Binding affinity for baculovirus-expressed Retinoic acid receptor RAR alpha	B	7.44	pKd	36	nM	Kd	J Med Chem (1996) 39: 3035-3038 [PMID:8759622]
ChEMBL	Binding affinity fo retinoic acid receptor RAR alpha	B	7.44	pKd	36	nM	Kd	Bioorg Med Chem Lett (2002) 12: 3145-3148 [PMID:12372520]
ChEMBL	Binding affinity for Retinoic Acid Receptor alpha (RAR alpha)	B	7.39	pIC50	41	nM	IC50	J Med Chem (2000) 43: 409-419 [PMID:10669568]
ChEMBL	Activity at RARalpha expressed in mouse NIH3T3 cells by R-SAT assay	B	7.1	pEC50	79.43	nM	EC50	J Med Chem (2009) 52: 1540-1545 [PMID:19239230]
ChEMBL	Agonist activity at RARalpha by TR-FRET assay	F	8.4	pEC50	4	nM	EC50	J Med Chem (2011) 54: 788-808 [PMID:21218783]
ChEMBL	Effective concentration for retinoic acid receptor RAR alpha transcriptional activation	F	8.7	pEC50	2	nM	EC50	Bioorg Med Chem Lett (2002) 12: 3145-3148 [PMID:12372520]
GtoPdb	-	-	9.52	pEC50	0.3	nM	EC50	Bioorg Med Chem Lett (2009) 19: 489-92 [PMID:19058965]
ChEMBL	Activity at human RARalpha ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay	B	9.52	pEC50	0.3	nM	EC50	Bioorg Med Chem Lett (2009) 19: 489-492 [PMID:19058965]
ChEMBL	Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) EUB0000567a RARA	F	9.52	pEC50	0.3	nM	EC50	Affinity On-target Cellular Literature for EUbOPEN Chemogenomic Library
Retinoic acid receptor-β/Retinoic acid receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2008] [GtoPdb: 591] [UniProtKB: P10826]
ChEMBL	Binding affinity for retinoic acid receptor RAR beta	B	5.85	pKd	1400	nM	Kd	Bioorg Med Chem Lett (2002) 12: 3145-3148 [PMID:12372520]
ChEMBL	Binding affinity for baculovirus-expressed Retinoic acid receptor RAR beta	B	5.87	pKd	1361	nM	Kd	J Med Chem (1996) 39: 3035-3038 [PMID:8759622]
ChEMBL	Transcriptional activity against RARbeta1	F	7.3	pEC50	50.12	nM	EC50	J Med Chem (2005) 48: 7517-7519 [PMID:16302793]
ChEMBL	Activity at RARbeta1 expressed in mouse NIH3T3 cells by R-SAT assay	B	7.3	pEC50	50.12	nM	EC50	J Med Chem (2009) 52: 1540-1545 [PMID:19239230]
ChEMBL	Transcriptional activity against RARbeta2	F	7.7	pEC50	19.95	nM	EC50	J Med Chem (2005) 48: 7517-7519 [PMID:16302793]
ChEMBL	Agonist activity at RARbeta2 expressed in mouse NIH3T3 cells by R-SAT assay	F	7.7	pEC50	19.95	nM	EC50	J Med Chem (2009) 52: 1540-1545 [PMID:19239230]
ChEMBL	Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) EUB0000567a RARB	F	8.05	pEC50	9	nM	EC50	Affinity On-target Cellular Literature for EUbOPEN Chemogenomic Library
ChEMBL	Effective concentration for retinoic acid receptor RAR beta transcriptional activation	F	8.05	pEC50	9	nM	EC50	Bioorg Med Chem Lett (2002) 12: 3145-3148 [PMID:12372520]
ChEMBL	Activity at human RARbeta ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay	B	8.07	pEC50	8.6	nM	EC50	Bioorg Med Chem Lett (2009) 19: 489-492 [PMID:19058965]
GtoPdb	-	-	8.07	pEC50	8.6	nM	EC50	Bioorg Med Chem Lett (2009) 19: 489-92 [PMID:19058965]
Retinoic acid receptor-γ/Retinoic acid receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2003] [GtoPdb: 592] [UniProtKB: P13631]
ChEMBL	Binding affinity for baculovirus-expressed Retinoic acid receptor RAR gamma	B	5.42	pKd	3824	nM	Kd	J Med Chem (1996) 39: 3035-3038 [PMID:8759622]
ChEMBL	Binding affinity for retinoic acid receptor RAR gamma	B	5.42	pKd	3800	nM	Kd	Bioorg Med Chem Lett (2002) 12: 3145-3148 [PMID:12372520]
ChEMBL	Activity at RARgamma expressed in mouse NIH3T3 cells by R-SAT assay	B	7.6	pEC50	25.12	nM	EC50	J Med Chem (2009) 52: 1540-1545 [PMID:19239230]
ChEMBL	Effective concentration for retinoic acid receptor RAR gamma transcriptional activation	F	7.72	pEC50	19	nM	EC50	Bioorg Med Chem Lett (2002) 12: 3145-3148 [PMID:12372520]
ChEMBL	Activity at human RARgamma ligand binding domain expressed in COS7 cells co-transfected with Gal4-DBD assessed as transcriptional activation after 16 hrs by Gal4 response element-driven luciferase reporter gene assay	B	7.89	pEC50	13	nM	EC50	Bioorg Med Chem Lett (2009) 19: 489-492 [PMID:19058965]
GtoPdb	-	-	7.89	pEC50	13	nM	EC50	Bioorg Med Chem Lett (2009) 19: 489-92 [PMID:19058965]
ChEMBL	Affinity On-target Cellular interaction: (Reporter gene assay (HEK293T cells)) EUB0000567a RARG	F	8	pEC50	10	nM	EC50	Affinity On-target Cellular Literature for EUbOPEN Chemogenomic Library

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]