Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1/Trypsin-2' and Ligand = 'BDBM50068490'   

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))	BDBM50068490 (CHEMBL146940 | [4-(1-Carbamimidoyl-piperidin-4-ylo...) Show SMILES CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(OC2CCN(CC2)C(N)=N)cc1 Show InChI InChI=1S/C26H34N6O4/c1-2-34-24(33)23(36-22-8-3-17-9-12-32(26(29)30)16-19(17)15-22)18-4-6-20(7-5-18)35-21-10-13-31(14-11-21)25(27)28/h3-8,15,21,23H,2,9-14,16H2,1H3,(H3,27,28)(H3,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	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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