Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50290249'   

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 (Homo sapiens (Human))	BDBM50290249 (2-((S)-3-Amino-3-benzyl-2-oxo-azepan-1-yl)-N-((S)-...) Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O3/c22-20(23)27-12-6-9-16(18(27)29)25-17(28)14-26-11-5-4-10-21(24,19(26)30)13-15-7-2-1-3-8-15/h1-3,7-8,16,18,29H,4-6,9-14,24H2,(H3,22,23)(H,25,28)/t16-,18?,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibitory activity against human trypsin				Bioorg Med Chem Lett 7: 2421-2426 (1997) Article DOI: 10.1016/S0960-894X(97)00446-0 BindingDB Entry DOI: 10.7270/Q2X92B91
					More data for this Ligand-Target Pair