Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50032862'   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM50032862 (CHEMBL3355668) Show SMILES OC(=O)C(F)(F)F.NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c[nH]1)-c1cccc(c1)C#N |r,wU:18.18,12.14,wD:9.7,(24.99,-5.26,;26.33,-6.03,;26.33,-7.58,;27.66,-5.26,;28.99,-6.03,;28.99,-4.47,;27.66,-3.72,;9.31,-12.83,;10.63,-13.61,;11.97,-12.84,;13.31,-13.62,;14.65,-12.85,;14.64,-11.31,;13.32,-10.54,;11.98,-11.3,;15.98,-10.54,;15.98,-9,;17.31,-11.31,;18.65,-10.54,;18.65,-9,;19.98,-8.23,;21.31,-9,;22.65,-8.23,;22.65,-6.69,;21.31,-5.92,;19.98,-6.69,;19.98,-11.31,;21.38,-10.68,;22.41,-11.82,;21.64,-13.16,;20.14,-12.84,;23.94,-11.67,;24.56,-10.26,;26.09,-10.1,;27,-11.34,;26.37,-12.75,;24.84,-12.91,;27.28,-13.99,;28.19,-15.23,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate				J Med Chem 57: 9915-32 (2014) Article DOI: 10.1021/jm5010607 BindingDB Entry DOI: 10.7270/Q2RV0Q9S
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