Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1/Trypsin-2' and Ligand = 'BDBM50068495'   

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))	BDBM50068495 (CHEMBL148972 | [4-(1-Acetyl-piperidin-4-yloxy)-phe...) Show SMILES CC(=O)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O Show InChI InChI=1S/C25H30N4O5/c1-16(30)28-12-9-21(10-13-28)33-20-5-3-18(4-6-20)23(24(31)32)34-22-7-2-17-8-11-29(25(26)27)15-19(17)14-22/h2-7,14,21,23H,8-13,15H2,1H3,(H3,26,27)(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+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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