Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsin' and Ligand = 'BDBM50063585'   

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))	BDBM50063585 (CHEMBL3398613) Show SMILES NCC12CCC(CC1)(CC2)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r| Show InChI InChI=1S/C28H30ClN7O/c29-23-22(18-6-7-19-20(15-18)35-36-24(19)31)33-25(34-23)21(14-17-4-2-1-3-5-17)32-26(37)28-11-8-27(16-30,9-12-28)10-13-28/h1-7,15,21H,8-14,16,30-31H2,(H,32,37)/b22-18+/t21-,27?,28?/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human trypsin at 25 degC				Bioorg Med Chem Lett 25: 1635-42 (2015) Article DOI: 10.1016/j.bmcl.2015.01.028 BindingDB Entry DOI: 10.7270/Q2319XJN
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