Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-arginine deiminase type-4' and Ligand = 'BDBM50535202'   

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-4 (Homo sapiens (Human))	BDBM50535202 (CHEMBL4546087) Show SMILES ClCC(=N)NCC#CC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C19H18ClN3O/c20-13-18(21)22-11-5-10-19(24)23-14-15-6-4-9-17(12-15)16-7-2-1-3-8-16/h1-4,6-9,12H,11,13-14H2,(H2,21,22)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged PAD4 expressed in Escherichia coli BL21-DE3 pLysS assessed as reduction in reduction in residual activity ...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
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