Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50092336'   

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))	BDBM50092336 (3-{2-[(4-Aminomethyl-cyclohexanecarbonyl)-amino]-3...) Show SMILES NCC1CC[C@@H](CC1)C(=O)NC(Cc1ccc(Oc2ncccn2)cc1)C(=O)Nc1cccc(c1)C(O)=O |wD:5.8,(-5.57,-7.73,;-4.24,-8.5,;-2.91,-7.73,;-2.91,-6.19,;-1.58,-5.42,;-.25,-6.19,;-.25,-7.73,;-1.58,-8.5,;1.08,-5.42,;1.1,-3.88,;2.41,-6.21,;3.74,-5.44,;3.76,-3.9,;4.53,-2.55,;3.74,-1.24,;4.49,.11,;6.05,.13,;6.8,1.46,;8.34,1.49,;9.11,.16,;10.65,.16,;11.42,1.51,;10.62,2.84,;9.08,2.82,;6.82,-1.2,;6.07,-2.55,;5.09,-6.21,;5.09,-7.75,;6.42,-5.44,;7.75,-6.21,;7.73,-7.75,;9.06,-8.52,;10.41,-7.77,;10.41,-6.21,;9.08,-5.44,;11.74,-5.44,;13.07,-6.21,;11.74,-3.9,)| Show InChI InChI=1S/C28H31N5O5/c29-17-19-5-9-20(10-6-19)25(34)33-24(26(35)32-22-4-1-3-21(16-22)27(36)37)15-18-7-11-23(12-8-18)38-28-30-13-2-14-31-28/h1-4,7-8,11-14,16,19-20,24H,5-6,9-10,15,17,29H2,(H,32,35)(H,33,34)(H,36,37)/t19?,20-,24?	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of plasma kallikrein				Bioorg Med Chem Lett 22: 2450-5 (2012) Article DOI: 10.1016/j.bmcl.2012.02.014 BindingDB Entry DOI: 10.7270/Q21G0N9N
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