BDBM50481262 CHEMBL595041

SMILES: Oc1ccc(I)cc1\C=N\CCCNC(=O)c1ccccc1O

InChI Key: InChIKey=GXTYWCQCGLCDRP-YBFXNURJSA-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 = 50481262   

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)	BDBM50481262 (CHEMBL595041) Show SMILES Oc1ccc(I)cc1\C=N\CCCNC(=O)c1ccccc1O Show InChI InChI=1S/C17H17IN2O3/c18-13-6-7-15(21)12(10-13)11-19-8-3-9-20-17(23)14-4-1-2-5-16(14)22/h1-2,4-7,10-11,21-22H,3,8-9H2,(H,20,23)/b19-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.53E+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