BDBM50365070 CHEMBL1951081

SMILES: COc1cc(OC)c(cc1NC(=O)CSc1ccncc1)S(=O)(=O)N1C(C)CCc2ccccc12

InChI Key: InChIKey=IDDCPHFFEUOPTQ-UHFFFAOYSA-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 = 50365070   

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
Bifunctional protein GlmU (Streptococcus pneumoniae)	BDBM50365070 (CHEMBL1951081) Show SMILES COc1cc(OC)c(cc1NC(=O)CSc1ccncc1)S(=O)(=O)N1C(C)CCc2ccccc12 Show InChI InChI=1S/C25H27N3O5S2/c1-17-8-9-18-6-4-5-7-21(18)28(17)35(30,31)24-14-20(22(32-2)15-23(24)33-3)27-25(29)16-34-19-10-12-26-13-11-19/h4-7,10-15,17H,8-9,16H2,1-3H3,(H,27,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Streptococcus pneumoniae acetyltransferase activity of GlmU using acetyl-CoA and glucosamine-1-phosphate after 30 mins by Ellman's meth...				Bioorg Med Chem Lett 22: 1510-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.016 BindingDB Entry DOI: 10.7270/Q23J3DF0
					More data for this Ligand-Target Pair