Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'dCTP pyrophosphatase 1' and Ligand = 'BDBM50260213'   

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))	BDBM50260213 (CHEMBL4081583) Show SMILES Cn1c(cc2oc(c(-c3ccccc3)c2c1=O)-c1ccccc1)-c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C31H28N2O2/c1-32-26(23-16-14-22(15-17-23)21-33-18-8-9-19-33)20-27-29(31(32)34)28(24-10-4-2-5-11-24)30(35-27)25-12-6-3-7-13-25/h2-7,10-17,20H,8-9,18-19,21H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	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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