BDBM50539074 CHEMBL4633704

SMILES: COc1nc2ccc(cc2cc1[C@@H](c1cccc(C)c1F)[C@@](O)(CCN(C)C)c1cc(SC)nc(SC)c1)C#N

InChI Key: InChIKey=WBEFLULHCBLLMW-GRKNLSHJSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50539074   

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)	BDBM50539074 (CHEMBL4633704) Show SMILES COc1nc2ccc(cc2cc1[C@@H](c1cccc(C)c1F)[C@@](O)(CCN(C)C)c1cc(SC)nc(SC)c1)C#N |r| Show InChI InChI=1S/C31H33FN4O2S2/c1-19-8-7-9-23(29(19)32)28(24-15-21-14-20(18-33)10-11-25(21)34-30(24)38-4)31(37,12-13-36(2)3)22-16-26(39-5)35-27(17-22)40-6/h7-11,14-17,28,37H,12-13H2,1-6H3/t28-,31-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair