Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serine protease hepsin' and Ligand = 'BDBM50272310'   

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))	BDBM50272310 (CHEMBL4130135) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C22H28N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h7-14,16,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272310 (CHEMBL4130135) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C22H28N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h7-14,16,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of recombinant C-terminal His10-tagged human Hepsin (R45 to L17 residues) D161E/ R162K double mutant expressed in mouse NS0 cells using Bo...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair
Serine protease hepsin (Homo sapiens (Human))	BDBM50272310 (CHEMBL4130135) Show SMILES Cc1ccc(cc1)S(=O)(=O)N[C@H](C1CCCCC1)C(=O)Nc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C22H28N4O3S/c1-15-7-13-19(14-8-15)30(28,29)26-20(16-5-3-2-4-6-16)22(27)25-18-11-9-17(10-12-18)21(23)24/h7-14,16,20,26H,2-6H2,1H3,(H3,23,24)(H,25,27)/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
University of Helsinki Curated by ChEMBL					Assay Description Inhibition of doxycycline induced Hepsin in human MCF10A cells using Boc-QRR-AMC as substrate preincubated for 24 hrs followed by doxycycline inducti...				J Med Chem 61: 4335-4347 (2018) Article DOI: 10.1021/acs.jmedchem.7b01698 BindingDB Entry DOI: 10.7270/Q2FF3VVT
					More data for this Ligand-Target Pair