Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM98597'   

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)	BDBM98597 ((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)c(Cl)c2)cc1 Show InChI InChI=1S/C20H23Cl2N5O5S/c21-15-6-3-13(7-16(15)22)11-33(31,32)27-17(10-28)20(30)26-9-18(29)25-8-12-1-4-14(5-2-12)19(23)24/h1-7,17,27-28H,8-11H2,(H3,23,24)(H,25,29)(H,26,30)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	600	-35.4	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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