BDBM50210941 CHEMBL3899686

SMILES: COc1ccc(OC)c(Cc2nc3ccccc3n2CC(=O)Nc2cc(cc(c2)C(C)(C)C)C(C)(C)C)c1

InChI Key: InChIKey=WEHIWGFNWMIJHV-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 = 50210941   

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
1,3-beta-glucan synthase component GSC2 (Saccharomyces cerevisiae)	BDBM50210941 (CHEMBL3899686) Show SMILES COc1ccc(OC)c(Cc2nc3ccccc3n2CC(=O)Nc2cc(cc(c2)C(C)(C)C)C(C)(C)C)c1 Show InChI InChI=1S/C32H39N3O3/c1-31(2,3)22-17-23(32(4,5)6)19-24(18-22)33-30(36)20-35-27-12-10-9-11-26(27)34-29(35)16-21-15-25(37-7)13-14-28(21)38-8/h9-15,17-19H,16,20H2,1-8H3,(H,33,36)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human ERG expressed in CHOK1 cells by automated patch clamp method				Eur J Med Chem 125: 1172-1192 (2017) Article DOI: 10.1016/j.ejmech.2016.11.017 BindingDB Entry DOI: 10.7270/Q25Q4Z83
					More data for this Ligand-Target Pair