Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-arginine deiminase type-4' and Ligand = 'BDBM50246191'   

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))	BDBM50246191 (CHEMBL4089260) Show SMILES Cn1cccc1C(=O)N[C@@H](CCn1ccnn1)C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C19H22N6O2/c1-24-11-5-8-17(24)19(27)22-16(9-12-25-13-10-21-23-25)18(26)20-14-15-6-3-2-4-7-15/h2-8,10-11,13,16H,9,12,14H2,1H3,(H,20,26)(H,22,27)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by ChEMBL					Assay Description Inhibition of full length human GST-tagged PAD4 expressed in baculovirus infected Sf9 insect cells preincubated for 30 mins followed by substrate add...				J Med Chem 60: 8876-8887 (2017) Article DOI: 10.1021/acs.jmedchem.7b01102 BindingDB Entry DOI: 10.7270/Q2QF8W9F
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