Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine protease 1' and Ligand = 'BDBM50110023'   

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))	BDBM50110023 (2-(3-Hydroxy-2-phenylmethanesulfonylamino-propiony...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C23H29N5O5S/c24-21(25)18-10-8-16(9-11-18)13-26-22(30)20-7-4-12-28(20)23(31)19(14-29)27-34(32,33)15-17-5-2-1-3-6-17/h1-3,5-6,8-11,19-20,27,29H,4,7,12-15H2,(H3,24,25)(H,26,30)/t19-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universitat Jena Curated by ChEMBL					Assay Description In vitro inhibition of trypsin.				Bioorg Med Chem Lett 12: 645-8 (2002) BindingDB Entry DOI: 10.7270/Q2NZ86XS
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