Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1/Trypsin-2' and Ligand = 'BDBM50068493'   

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
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50068493 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(=N)CC)cc1 Show InChI InChI=1S/C28H37N5O4/c1-3-25(29)32-15-12-23(13-16-32)36-22-8-6-20(7-9-22)26(27(34)35-4-2)37-24-10-5-19-11-14-33(28(30)31)18-21(19)17-24/h5-10,17,23,26,29H,3-4,11-16,18H2,1-2H3,(H3,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Mannheim GmbH Curated by ChEMBL					Assay Description The inhibition constant against human trypsin				J Med Chem 41: 4983-94 (1999) Article DOI: 10.1021/jm9800402 BindingDB Entry DOI: 10.7270/Q2611112
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