BDBM50481268 CHEMBL596423

SMILES: Oc1ccccc1C(=O)NCCCC\N=C\c1c(O)ccc2ccccc12

InChI Key: InChIKey=QYSOCOHJOWWXNS-HZHRSRAPSA-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 = 50481268   

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)	BDBM50481268 (CHEMBL596423) Show SMILES Oc1ccccc1C(=O)NCCCC\N=C\c1c(O)ccc2ccccc12 Show InChI InChI=1S/C22H22N2O3/c25-20-10-4-3-9-18(20)22(27)24-14-6-5-13-23-15-19-17-8-2-1-7-16(17)11-12-21(19)26/h1-4,7-12,15,25-26H,5-6,13-14H2,(H,24,27)/b23-15+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli Beta-ketoacyl-ACP synthase III expressed in Escherichia coli BL21 (DE3) by liquid scintillation counting				Bioorg Med Chem 17: 7861-71 (2009) Article DOI: 10.1016/j.bmc.2009.10.037 BindingDB Entry DOI: 10.7270/Q2TT4TRN
					More data for this Ligand-Target Pair