BDBM50539070 CHEMBL4637995

SMILES: COc1cccc([C@H](c2cc3cc(ccc3nc2OC)C#N)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1F

InChI Key: InChIKey=APDPFTQRBVZYCT-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 = 50539070   

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)	BDBM50539070 (CHEMBL4637995) Show SMILES COc1cccc([C@H](c2cc3cc(ccc3nc2OC)C#N)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1F |r| Show InChI InChI=1S/C31H33FN4O3S2/c1-36(2)13-12-31(37,21-16-26(40-5)35-27(17-21)41-6)28(22-8-7-9-25(38-3)29(22)32)23-15-20-14-19(18-33)10-11-24(20)34-30(23)39-4/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	5.10E+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				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair