Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50112501'   

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 (Bos taurus (bovine))	BDBM50112501 (4-{4-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allylam...) Show SMILES NC(=N)c1ccc(O)c(C=CCNc2ccc(OC3CCN(CC3)C(N)=O)c(c2)C(F)(F)F)c1 |w:9.8| Show InChI InChI=1S/C23H26F3N5O3/c24-23(25,26)18-13-16(4-6-20(18)34-17-7-10-31(11-8-17)22(29)33)30-9-1-2-14-12-15(21(27)28)3-5-19(14)32/h1-6,12-13,17,30,32H,7-11H2,(H3,27,28)(H2,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences Curated by ChEMBL					Assay Description Competitive inhibition of trypsin				Bioorg Med Chem Lett 12: 1307-10 (2002) BindingDB Entry DOI: 10.7270/Q21R6PV8
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