BDBM50063066 CHEMBL3398417

SMILES: Cc1nn(c(Cl)c1C(=O)NC(CC(O)=O)c1ccc(Cl)c(Cl)c1)-c1ccccc1

InChI Key: InChIKey=BAIIMTYXDPYJJW-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 = 50063066   

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))	BDBM50063066 (CHEMBL3398417) Show SMILES Cc1nn(c(Cl)c1C(=O)NC(CC(O)=O)c1ccc(Cl)c(Cl)c1)-c1ccccc1 Show InChI InChI=1S/C20H16Cl3N3O3/c1-11-18(19(23)26(25-11)13-5-3-2-4-6-13)20(29)24-16(10-17(27)28)12-7-8-14(21)15(22)9-12/h2-9,16H,10H2,1H3,(H,24,29)(H,27,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.07E+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