Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'dCTP pyrophosphatase 1' and Ligand = 'BDBM50236120'   

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))	BDBM50236120 (CHEMBL4078004) Show SMILES c1ccc(nc1)-c1nnc2sc(nn12)-c1cccnc1 Show InChI InChI=1S/C13H8N6S/c1-2-7-15-10(5-1)11-16-17-13-19(11)18-12(20-13)9-4-3-6-14-8-9/h1-8H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 3 receptor in rat cortical membrane using [3H]GR-65630 as radioligand				J Med Chem 60: 2148-2154 (2017) Article DOI: 10.1021/acs.jmedchem.6b01786 BindingDB Entry DOI: 10.7270/Q2BR8VGZ
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