Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM98594'   

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)	BDBM98594 ((2R)-N-[2-[(4-carbamimidoylphenyl)methylamino]-2-o...) Show SMILES NC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C20H24ClN5O5S/c21-16-7-3-14(4-8-16)12-32(30,31)26-17(11-27)20(29)25-10-18(28)24-9-13-1-5-15(6-2-13)19(22)23/h1-8,17,26-27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	350	-36.7	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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