BDBM50063074 CHEMBL3398406

SMILES: CC(C)c1ccc(cc1)C(CC(O)=O)NC(=O)c1cc(oc1C)C(C)(C)C

InChI Key: InChIKey=FXCLQYZAEAKOQB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50063074   

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 CYP26A1 (Homo sapiens (Human))	BDBM50063074 (CHEMBL3398406) Show SMILES CC(C)c1ccc(cc1)C(CC(O)=O)NC(=O)c1cc(oc1C)C(C)(C)C Show InChI InChI=1S/C22H29NO4/c1-13(2)15-7-9-16(10-8-15)18(12-20(24)25)23-21(26)17-11-19(22(4,5)6)27-14(17)3/h7-11,13,18H,12H2,1-6H3,(H,23,26)(H,24,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) Curated by ChEMBL					Assay Description Inhibition of CYP26A1 in ATRA-induced human HL60 cell microsomes incubated for 30 mins using ATRA and NADPH by HPLC method				Bioorg Med Chem 23: 1356-65 (2015) Article DOI: 10.1016/j.bmc.2014.11.036 BindingDB Entry DOI: 10.7270/Q2416ZQG
					More data for this Ligand-Target Pair