Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-arginine deiminase type-1' and Ligand = 'BDBM50535205'   

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-1 (Homo sapiens (Human))	BDBM50535205 (CHEMBL4461562) Show SMILES ClCC(=N)NCCNC(=O)NCc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C18H21ClN4O/c19-12-17(20)21-9-10-22-18(24)23-13-14-5-4-8-16(11-14)15-6-2-1-3-7-15/h1-8,11H,9-10,12-13H2,(H2,20,21)(H2,22,23,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+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 PAD1 assessed as reduction in residual activity preincubated for 15 mins followed by addition of N-benzoy...				ACS Med Chem Lett 7: 847-51 (2016) Article DOI: 10.1021/acsmedchemlett.6b00215 BindingDB Entry DOI: 10.7270/Q2Q243RF
					More data for this Ligand-Target Pair