BDBM50460296 CHEMBL4227994

SMILES: COc1cc(cc(OC(C)C)n1)[C@H](c1cc2cc(ccc2cc1OC)C#N)[C@@](O)(CCN(C)C)c1cccc2ccoc12

InChI Key: InChIKey=CGRCNJPUIPILGO-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 = 50460296   

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)	BDBM50460296 (CHEMBL4227994) Show SMILES COc1cc(cc(OC(C)C)n1)[C@H](c1cc2cc(ccc2cc1OC)C#N)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r| Show InChI InChI=1S/C35H37N3O5/c1-22(2)43-32-20-27(19-31(37-32)41-6)33(28-17-26-16-23(21-36)10-11-25(26)18-30(28)40-5)35(39,13-14-38(3)4)29-9-7-8-24-12-15-42-34(24)29/h7-12,15-20,22,33,39H,13-14H2,1-6H3/t33-,35-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+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