Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-oxoacyl-[acyl-carrier-protein] synthase 3' and Ligand = 'BDBM50537365'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
3-oxoacyl-[acyl-carrier-protein] synthase 3 (Escherichia coli)	BDBM50537365 (CHEMBL4579264) Show SMILES COc1ccc(cc1)C(=O)CN1C(=S)S\C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O Show InChI InChI=1S/C22H21NO6S2/c1-26-15-7-5-14(6-8-15)16(24)12-23-21(25)19(31-22(23)30)11-13-9-17(27-2)20(29-4)18(10-13)28-3/h5-11H,12H2,1-4H3/b19-11+	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli KAS3 expressed in Escherichia coli BL21(DE3)				Bioorg Med Chem 27: 1509-1516 (2019) Article DOI: 10.1016/j.bmc.2019.02.043 BindingDB Entry DOI: 10.7270/Q22J6GD6
					More data for this Ligand-Target Pair