Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50032872'   

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))	BDBM50032872 (CHEMBL3355685) Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1ncc(o1)-c1ccccc1 |r,wU:5.8,wD:11.11,2.1,(30.8,-41.53,;29.47,-42.3,;28.13,-41.53,;28.13,-39.99,;26.8,-39.22,;25.46,-39.99,;25.46,-41.53,;26.8,-42.3,;24.13,-39.22,;24.13,-37.68,;22.8,-39.99,;21.46,-39.22,;21.46,-37.68,;20.13,-36.91,;18.8,-37.68,;17.46,-36.91,;17.46,-35.37,;18.8,-34.6,;20.13,-35.37,;20.17,-40.06,;20.09,-41.6,;18.6,-42,;17.77,-40.7,;18.74,-39.51,;16.23,-40.62,;15.4,-41.92,;13.86,-41.84,;13.16,-40.46,;14,-39.17,;15.52,-39.25,)| Show InChI InChI=1S/C25H29N3O2/c26-16-19-11-13-21(14-12-19)24(29)28-22(15-18-7-3-1-4-8-18)25-27-17-23(30-25)20-9-5-2-6-10-20/h1-10,17,19,21-22H,11-16,26H2,(H,28,29)/t19-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.44E+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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