BDBM50539079 CHEMBL4638967

SMILES: CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1F)c1cc2cc(ccc2nc1OC)C#N

InChI Key: InChIKey=AHIGFXVNBRSSME-LXANVCGNSA-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 = 50539079   

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)	BDBM50539079 (CHEMBL4638967) Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(C)c1F)c1cc2cc(ccc2nc1OC)C#N |r| Show InChI InChI=1S/C33H37FN4O2S2/c1-7-41-28-18-24(19-29(37-28)42-8-2)33(39,14-15-38(4)5)30(25-11-9-10-21(3)31(25)34)26-17-23-16-22(20-35)12-13-27(23)36-32(26)40-6/h9-13,16-19,30,39H,7-8,14-15H2,1-6H3/t30-,33-/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