Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsinogen 16' and Ligand = 'BDBM193320'   

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))	BDBM193320 (US9199927, 31) Show SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(CC(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)F)C(O)=O)c(Cl)c1 |r| Show InChI InChI=1S/C26H22ClF3N4O5/c27-20-13-19(39-24(38)15-3-8-18(9-4-15)33-25(31)32)10-5-16(20)12-22(35)34-21(23(36)37)11-14-1-6-17(7-2-14)26(28,29)30/h1-10,13,21H,11-12H2,(H,34,35)(H,36,37)(H4,31,32,33)/t21-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.340	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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