Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bifunctional coenzyme A synthase'   

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
Bifunctional coenzyme A synthase (Homo sapiens)	BDBM50263238 (CHEMBL4102651) Show SMILES C[C@@H](Nc1nc2c(O)cccc2[nH]1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C15H14ClN3O/c1-9(10-4-2-5-11(16)8-10)17-15-18-12-6-3-7-13(20)14(12)19-15/h2-9,20H,1H3,(H2,17,18,19)/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research , 5300 Chiron Way , Emeryville , California 94608 , United States. Curated by ChEMBL					Assay Description Inhibition of human PPAT				J Med Chem 61: 3309-3324 (2018) Article DOI: 10.1021/acs.jmedchem.7b01691 BindingDB Entry DOI: 10.7270/Q2S46VFK
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