Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM98602'   

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)	BDBM98602 (3-amino-N-[4-[[2-[[(2R)-3-amino-2-(benzylsulfonyla...) Show SMILES NC(CNS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C20H26N6O4S/c21-17(11-26-31(29,30)13-15-4-2-1-3-5-15)20(28)25-12-18(27)24-10-14-6-8-16(9-7-14)19(22)23/h1-9,17,26H,10-13,21H2,(H3,22,23)(H,24,27)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	180	-38.4	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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