Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 11 entry = 50042375   

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
Procathepsin L (Homo sapiens (Human))	BDBM50425030 (CHEMBL2312216) Show SMILES Oc1c(CNCC#N)cc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C12H10N4O3/c13-3-5-14-7-8-6-10(16(18)19)9-2-1-4-15-11(9)12(8)17/h1-2,4,6,14,17H,5,7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.24E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant cathepsin L endopeptidase activity using Z-FR-AMC substrate expressed in Escherichia coli assessed as inh...				J Med Chem 56: 521-33 (2013) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50425024 (CHEMBL2312204) Show SMILES CC1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C15H17N3O2/c1-11-6-9-17(10-7-11)14-5-4-13(18(19)20)12-3-2-8-16-15(12)14/h2-5,8,11H,6-7,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant cathepsin L endopeptidase activity using Z-FR-AMC substrate expressed in Escherichia coli assessed as inh...				J Med Chem 56: 521-33 (2013) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50425017 (CHEMBL2312203) Show SMILES Nc1c(Br)cc([N+]([O-])=O)c2ccccc12 Show InChI InChI=1S/C10H7BrN2O2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.82E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant cathepsin L endopeptidase activity using Z-FR-AMC substrate expressed in Escherichia coli assessed as inh...				J Med Chem 56: 521-33 (2013) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50415097 (CHEMBL570897) Show SMILES [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12 Show InChI InChI=1S/C14H14N2O2/c17-16(18)14-8-7-13(15-9-3-4-10-15)11-5-1-2-6-12(11)14/h1-2,5-8H,3-4,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	2.45E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant cathepsin L endopeptidase activity using Z-FR-AMC substrate expressed in Escherichia coli assessed as inh...				J Med Chem 56: 521-33 (2013) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
					More data for this Ligand-Target Pair