Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kallikrein' and Ligand = 'BDBM50004606'   

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
Kallikrein (Sus scrofa)	BDBM50004606 (2-(2-Acetylamino-3-phenyl-propionylamino)-5-guanid...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(N)=O Show InChI InChI=1S/C25H40N8O6/c1-14(2)20(21(26)36)33-24(39)19(13-34)32-22(37)17(10-7-11-29-25(27)28)31-23(38)18(30-15(3)35)12-16-8-5-4-6-9-16/h4-6,8-9,14,17-20,34H,7,10-13H2,1-3H3,(H2,26,36)(H,30,35)(H,31,38)(H,32,37)(H,33,39)(H4,27,28,29)/t17-,18-,19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.79E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory activity against beta-kallikrein				J Med Chem 35: 3094-102 (1992) BindingDB Entry DOI: 10.7270/Q23R0RVF
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