Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50138669'   

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))	BDBM50138669 (6-Carbamimidoyl-naphthalene-2-carboxylic acid (1-i...) Show SMILES CC(C)CC1NCCc2ccc(NC(=O)c3ccc4cc(ccc4c3)C(N)=N)cc12 Show InChI InChI=1S/C25H28N4O/c1-15(2)11-23-22-14-21(8-7-16(22)9-10-28-23)29-25(30)20-6-4-17-12-19(24(26)27)5-3-18(17)13-20/h3-8,12-15,23,28H,9-11H2,1-2H3,(H3,26,27)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity against human plasma kallikrein.				J Med Chem 47: 303-24 (2004) Article DOI: 10.1021/jm0300072 BindingDB Entry DOI: 10.7270/Q2BR8RMH
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