BDBM50539076 CHEMBL4647399

SMILES: CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC

InChI Key: InChIKey=FUVWUPVZHLQUGE-AKGWNBJDSA-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 = 50539076   

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)	BDBM50539076 (CHEMBL4647399) Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@@H](c1cc2cc(Br)ccc2nc1OC)c1ccnc(OC)c1OC |r| Show InChI InChI=1S/C32H39BrN4O4S2/c1-8-42-26-18-21(19-27(36-26)43-9-2)32(38,13-15-37(3)4)28(23-12-14-34-31(41-7)29(23)39-5)24-17-20-16-22(33)10-11-25(20)35-30(24)40-6/h10-12,14,16-19,28,38H,8-9,13,15H2,1-7H3/t28-,32-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9.20E+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