Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsinogen 16' and Ligand = 'BDBM193329'   

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
Trypsinogen 16 (Mus musculus (Mouse))	BDBM193329 (US9199927, 40) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N(CC(O)=O)[C@@H](Cc2ccccc2)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C27H25ClN4O7/c28-21-14-20(39-26(38)17-6-9-19(10-7-17)31-27(29)30)11-8-18(21)13-23(33)32(15-24(34)35)22(25(36)37)12-16-4-2-1-3-5-16/h1-11,14,22H,12-13,15H2,(H,34,35)(H,36,37)(H4,29,30,31)/t22-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	8.0	25
Astellas Pharma Inc. US Patent					Assay Description The compound was dissolved in dimethyl sulfoxide (DMSO), and diluted to an arbitrary concentration (A). A was 100-fold diluted with a buffer (0.1 M T...				US Patent US9199927 (2015) BindingDB Entry DOI: 10.7270/Q2P26WXN
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