BDBM50539082 CHEMBL4638334

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

InChI Key: InChIKey=SQQVHZNFCHNWOK-CYTLCNBWSA-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 = 50539082   

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)	BDBM50539082 (CHEMBL4638334) Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C33H39N5O4S2/c1-8-43-27-18-23(19-28(37-27)44-9-2)33(39,13-15-38(3)4)29(24-12-14-35-32(42-7)30(24)40-5)25-17-22-16-21(20-34)10-11-26(22)36-31(25)41-6/h10-12,14,16-19,29,39H,8-9,13,15H2,1-7H3/t29-,33-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.50E+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