Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-arginine deiminase type-3' and Ligand = 'BDBM50535208'   

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
Protein-arginine deiminase type-3 (Homo sapiens (Human))	BDBM50535208 (CHEMBL4547728) Show SMILES ClCC(=N)NCCCc1cn(nn1)-c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H20ClN5/c20-13-19(21)22-11-5-9-17-14-25(24-23-17)18-10-4-8-16(12-18)15-6-2-1-3-7-15/h1-4,6-8,10,12,14H,5,9,11,13H2,(H2,21,22)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged PAD3 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in residual activity preincubated...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
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