Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50097629'   

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
Trypsin (Homo sapiens (Human))	BDBM50097629 (5-(3-Carbamimidoyl-phenyl)-2-methyl-1H-imidazole-4...) Show SMILES Cc1nc(c([nH]1)C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)-c1cccc(c1)C(N)=N Show InChI InChI=1S/C24H22N6O3S/c1-14-28-21(16-5-4-6-17(13-16)23(25)26)22(29-14)24(31)30-18-11-9-15(10-12-18)19-7-2-3-8-20(19)34(27,32)33/h2-13H,1H3,(H3,25,26)(H,28,29)(H,30,31)(H2,27,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Binding affinity towards human trypsin				Bioorg Med Chem Lett 11: 641-5 (2001) BindingDB Entry DOI: 10.7270/Q2RV0MZ2
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