Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'dCTP pyrophosphatase 1' and Ligand = 'BDBM50260237'   

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
dCTP pyrophosphatase 1 (Homo sapiens (Human))	BDBM50260237 (CHEMBL4061348) Show SMILES Cc1ccccc1C(=O)Nc1cnc2sc3CCCCc3n2c1=O Show InChI InChI=1S/C18H17N3O2S/c1-11-6-2-3-7-12(11)16(22)20-13-10-19-18-21(17(13)23)14-8-4-5-9-15(14)24-18/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human dCTPase at by microtiter plate-adapted malachite green assay				Bioorg Med Chem Lett 27: 3219-3225 (2017) Article DOI: 10.1016/j.bmcl.2017.06.039 BindingDB Entry DOI: 10.7270/Q29K4DPQ
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