BDBM50539071 CHEMBL4637257

SMILES: COc1nccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1OC

InChI Key: InChIKey=KHSUUGGYMNDMNP-PDDLMNHVSA-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 = 50539071   

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)	BDBM50539071 (CHEMBL4637257) Show SMILES COc1nccc([C@H](c2cc3cc(Br)ccc3nc2OC)[C@@](O)(CCN(C)C)c2cc(SC)nc(SC)c2)c1OC |r| Show InChI InChI=1S/C30H35BrN4O4S2/c1-35(2)13-11-30(36,19-16-24(40-6)34-25(17-19)41-7)26(21-10-12-32-29(39-5)27(21)37-3)22-15-18-14-20(31)8-9-23(18)33-28(22)38-4/h8-10,12,14-17,26,36H,11,13H2,1-7H3/t26-,30-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	2.80E+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