Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50110005'   

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 (Homo sapiens (Human))	BDBM50110005 ((1-{[(4-Carbamimidoyl-benzylcarbamoyl)-methyl]-car...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)cc1 Show InChI InChI=1S/C21H25N5O5/c22-19(23)16-8-6-14(7-9-16)10-24-18(28)11-25-20(29)17(12-27)26-21(30)31-13-15-4-2-1-3-5-15/h1-9,17,27H,10-13H2,(H3,22,23)(H,24,28)(H,25,29)(H,26,30)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of trypsin.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
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