BDBM50460291 CHEMBL4227161

SMILES: COc1cccc([C@H](c2cc3cc(ccc3cc2OC)C#N)[C@@](O)(CCN(C)C)c2cccc3CCCc23)c1OC

InChI Key: InChIKey=NCYUKGDBVUHHGT-VLZNPVHKSA-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 = 50460291   

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 GLS2 (Saccharomyces cerevisiae)	BDBM50460291 (CHEMBL4227161) Show SMILES COc1cccc([C@H](c2cc3cc(ccc3cc2OC)C#N)[C@@](O)(CCN(C)C)c2cccc3CCCc23)c1OC |r| Show InChI InChI=1S/C35H38N2O4/c1-37(2)18-17-35(38,30-13-7-10-24-9-6-11-27(24)30)33(28-12-8-14-31(39-3)34(28)41-5)29-20-26-19-23(22-36)15-16-25(26)21-32(29)40-4/h7-8,10,12-16,19-21,33,38H,6,9,11,17-18H2,1-5H3/t33-,35-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp assay				Bioorg Med Chem 26: 1797-1809 (2018) Article DOI: 10.1016/j.bmc.2018.02.026 BindingDB Entry DOI: 10.7270/Q2TQ645G
					More data for this Ligand-Target Pair