BDBM50157731 CHEMBL3785511::US9963439, Compound C

SMILES: CC1(C)CCC(C)(C)c2cc(ccc12)C(O)COc1ccc(cc1)C(O)=O

InChI Key: InChIKey=UKOIJXMXVPKISB-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50157731   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 26B1 (Homo sapiens (Human))	BDBM50157731 (CHEMBL3785511 | US9963439, Compound C) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(O)COc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H28O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13,20,24H,11-12,14H2,1-4H3,(H,25,26)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26B1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50157731 (CHEMBL3785511 | US9963439, Compound C) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(O)COc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H28O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13,20,24H,11-12,14H2,1-4H3,(H,25,26)	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description Compounds were assessed for inhibition (IC50, n=2) of CYP2C8, CYP2C9 and CYP3A4 in pooled human liver microsomes using selective probe substrates at ...				J Med Chem 52: 1864-72 (2009) BindingDB Entry DOI: 10.7270/Q2FN18J2
					More data for this Ligand-Target Pair
Cytochrome CYP26A1 (Homo sapiens (Human))	BDBM50157731 (CHEMBL3785511 | US9963439, Compound C) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(O)COc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H28O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13,20,24H,11-12,14H2,1-4H3,(H,25,26)	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington at Seattle					Assay Description Eighteen compounds were tested as potential inhibitors of CYP26A1 and CYP26B1. The formation of 9-cis-4-OH-RA metabolite was monitored and the percen...				J Med Chem 52: 1864-72 (2009) BindingDB Entry DOI: 10.7270/Q2FN18J2
					More data for this Ligand-Target Pair
Cytochrome CYP26A1 (Homo sapiens (Human))	BDBM50157731 (CHEMBL3785511 | US9963439, Compound C) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(O)COc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H28O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13,20,24H,11-12,14H2,1-4H3,(H,25,26)	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Montana Curated by ChEMBL					Assay Description Inhibition of microsomal fraction of human CYP26A1 expressed in Sf9 cells using 9-cis-RA as substrate preincubated for 5 mins followed by NADPH addit...				J Med Chem 59: 2579-95 (2016) BindingDB Entry DOI: 10.7270/Q2J38VG8
					More data for this Ligand-Target Pair