Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine protease hepsin' and Ligand = 'BDBM50518590'   

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 hepsin (Homo sapiens (Human))	BDBM50518590 (CHEMBL4548036) Show SMILES NC(=N)NCCC[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H30N6O4S/c31-29(32)33-15-7-13-24(27(38)28-36-23-12-5-6-14-25(23)41-28)35-26(37)16-34-30(39)40-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-6,8-12,14,22,24H,7,13,15-17H2,(H,34,39)(H,35,37)(H4,31,32,33)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	831	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His10-tagged hepsin catalytic domain preincubated for 30 mins followed by Boc-QAR-AMC substrate addition a...				J Med Chem 62: 480-490 (2019) Article DOI: 10.1021/acs.jmedchem.8b01536 BindingDB Entry DOI: 10.7270/Q2D50RBN
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50518590 (CHEMBL4548036) Show SMILES NC(=N)NCCC[C@H](NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)c1nc2ccccc2s1 |r| Show InChI InChI=1S/C30H30N6O4S/c31-29(32)33-15-7-13-24(27(38)28-36-23-12-5-6-14-25(23)41-28)35-26(37)16-34-30(39)40-17-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-6,8-12,14,22,24H,7,13,15-17H2,(H,34,39)(H,35,37)(H4,31,32,33)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of hepsin (unknown origin) expressed in MCF10A cells preincubated for 30 mins followed by Boc-QAR-AMC substrate addition and measured for ...				J Med Chem 62: 480-490 (2019) Article DOI: 10.1021/acs.jmedchem.8b01536 BindingDB Entry DOI: 10.7270/Q2D50RBN
					More data for this Ligand-Target Pair