Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Trypsinogen 16' and Ligand = 'BDBM193305'   

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))	BDBM193305 (US9199927, 16) Show SMILES COc1ccc(C[C@H](NC(=O)Cc2ccc(OC(=O)c3ccc(NC(N)=N)cc3)cc2Cl)C(O)=O)cc1 |r| Show InChI InChI=1S/C26H25ClN4O6/c1-36-19-9-2-15(3-10-19)12-22(24(33)34)31-23(32)13-17-6-11-20(14-21(17)27)37-25(35)16-4-7-18(8-5-16)30-26(28)29/h2-11,14,22H,12-13H2,1H3,(H,31,32)(H,33,34)(H4,28,29,30)/t22-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.260	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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