Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Polyketide synthase Pks13' and Ligand = 'BDBM50247640'   

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
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50247640 (CHEMBL4063356) Show SMILES CCOC(=O)c1c(oc2ccc(O)c(CN3CCC(C)CC3)c12)-c1ccccc1 Show InChI InChI=1S/C24H27NO4/c1-3-28-24(27)22-21-18(15-25-13-11-16(2)12-14-25)19(26)9-10-20(21)29-23(22)17-7-5-4-6-8-17/h4-10,16,26H,3,11-15H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Rheinische Friedrich-Wilhelms-Universit£t Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis ATCC 25618 H37Rv Pks13 thioesterase domain expressed in Escherichia coli BL21(DE3) using 4-MUH as substrate ...				J Med Chem 61: 1276-1284 (2018) Article DOI: 10.1021/acs.jmedchem.7b01780 BindingDB Entry DOI: 10.7270/Q2B27XQN
					More data for this Ligand-Target Pair				3D Structure (crystal)