BDBM50539077 CHEMBL4641177

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

InChI Key: InChIKey=FZHBQLNHMZHIRV-QLWXXVCSSA-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 = 50539077   

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)	BDBM50539077 (CHEMBL4641177) Show SMILES CCSc1cc(cc(SCC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C32H37BrFN3O3S2/c1-7-41-27-18-21(19-28(36-27)42-8-2)32(38,14-15-37(3)4)29(23-10-9-11-26(39-5)30(23)34)24-17-20-16-22(33)12-13-25(20)35-31(24)40-6/h9-13,16-19,29,38H,7-8,14-15H2,1-6H3/t29-,32-/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