BDBM50482066 CHEMBL1091943

SMILES: CC(CNC(=O)c1ccc(C)cc1O)\N=C\c1c(O)ccc2ccccc12

InChI Key: InChIKey=VKLHCNGBBILUBV-YDZHTSKRSA-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 = 50482066   

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
Beta-ketoacyl-ACP synthase III (FabH) (Escherichia coli)	BDBM50482066 (CHEMBL1091943) Show SMILES CC(CNC(=O)c1ccc(C)cc1O)\N=C\c1c(O)ccc2ccccc12 Show InChI InChI=1S/C22H22N2O3/c1-14-7-9-18(21(26)11-14)22(27)24-12-15(2)23-13-19-17-6-4-3-5-16(17)8-10-20(19)25/h3-11,13,15,25-26H,12H2,1-2H3,(H,24,27)/b23-13+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli KAS3 after 1 min assessed as incorporation of 3H signal in the final product by liquid scintillation counter				Bioorg Med Chem 18: 2447-55 (2010) Article DOI: 10.1016/j.bmc.2010.02.052 BindingDB Entry DOI: 10.7270/Q2H70JNT
					More data for this Ligand-Target Pair