Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM98604'   

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 (Rattus norvegicus)	BDBM98604 (2-[4-[[(1R)-2-[[2-[4-[(3-amino-4-methoxy-benzoyl)a...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@H](CO)NS(=O)(=O)Cc2ccc(CC(O)=O)cc2)cc1 Show InChI InChI=1S/C22H27N5O7S/c23-21(24)17-7-5-15(6-8-17)10-25-19(29)11-26-22(32)18(12-28)27-35(33,34)13-16-3-1-14(2-4-16)9-20(30)31/h1-8,18,27-28H,9-13H2,(H3,23,24)(H,25,29)(H,26,32)(H,30,31)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	300	-37.1	n/a	n/a	n/a	n/a	n/a	n/a	24
The Medicines Company US Patent					Assay Description Inhibition constant of the compound against Trypsin				US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH
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