Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50106049'   

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))	BDBM50106049 ((R)-2-(3-Carbamimidoyl-benzoyl)-6-hydroxy-1,2,3,4-...) Show SMILES NC(=N)c1cccc(c1)C(=O)N1Cc2ccc(O)cc2C[C@@H]1C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O Show InChI InChI=1S/C30H27N5O5S/c31-28(32)19-4-3-5-20(14-19)30(38)35-17-21-10-13-24(36)15-22(21)16-26(35)29(37)34-23-11-8-18(9-12-23)25-6-1-2-7-27(25)41(33,39)40/h1-15,26,36H,16-17H2,(H3,31,32)(H,34,37)(H2,33,39,40)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
COR Therapeutics, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of human trypsin.				Bioorg Med Chem Lett 11: 2947-50 (2001) BindingDB Entry DOI: 10.7270/Q27H1HW6
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