Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1/Trypsin-2' and Ligand = 'BDBM50068502'   

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))	BDBM50068502 ((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(C)=N)cc1 Show InChI InChI=1S/C26H33N5O4/c1-3-33-25(32)24(35-22-9-4-18-10-12-31(26(28)29)15-20(18)14-22)19-5-7-21(8-6-19)34-23-11-13-30(16-23)17(2)27/h4-9,14,23-24,27H,3,10-13,15-16H2,1-2H3,(H3,28,29)/t23-,24?/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	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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