BDBM50539065 CHEMBL4646329

SMILES: COc1cc(cc(n1)S(C)(=O)=O)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC

InChI Key: InChIKey=HCSVBNXMCYZZGD-POURPWNDSA-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 = 50539065   

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)	BDBM50539065 (CHEMBL4646329) Show SMILES COc1cc(cc(n1)S(C)(=O)=O)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1F)c1cc2cc(Br)ccc2nc1OC |r| Show InChI InChI=1S/C30H33BrFN3O6S/c1-35(2)13-12-30(36,19-16-25(40-4)34-26(17-19)42(6,37)38)27(21-8-7-9-24(39-3)28(21)32)22-15-18-14-20(31)10-11-23(18)33-29(22)41-5/h7-11,14-17,27,36H,12-13H2,1-6H3/t27-,30-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	1.80E+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