Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Ectonucleoside triphosphate diphosphohydrolase 1' and Ligand = 'BDBM50468624'   

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
Ectonucleoside triphosphate diphosphohydrolase 1 (Rattus norvegicus)	BDBM50468624 (CHEMBL4284994) Show SMILES Cc1cc(C)n(n1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C16H14N2O/c1-11-9-12(2)18(17-11)16(19)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
Quaid-I-Azam University Curated by ChEMBL					Assay Description Inhibition of rat NTPDase1 expressed in CHO cells using ATP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mi...				Eur J Med Chem 156: 461-478 (2018) Article DOI: 10.1016/j.ejmech.2018.07.002 BindingDB Entry DOI: 10.7270/Q21C20K3
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