Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'dCTP pyrophosphatase 1' and Ligand = 'BDBM50260214'   

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))	BDBM50260214 (CHEMBL4080322) Show SMILES COC(=O)Cc1c(C)[nH]c2c(c(C)nn2c1=O)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C19H21N3O5/c1-10-13(9-16(23)27-5)19(24)22-18(20-10)17(11(2)21-22)12-6-7-14(25-3)15(8-12)26-4/h6-8,20H,9H2,1-5H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	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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