BDBM50425030 CHEMBL2312216

SMILES: Oc1c(CNCC#N)cc([N+]([O-])=O)c2cccnc12

InChI Key: InChIKey=WCKCUTSAAUXUOC-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50425030   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cathepsin B (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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Uncompetitive inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for en...				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))	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 UniProtKB/TrEMBL 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
Pro-cathepsin H (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29E+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 Noncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-inhibito...				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
Pro-cathepsin H (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29E+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 Noncompetitive inhibition of human liver cathepsin H endopeptidase activity using R-AMC substrate assessed as inhibition constant for enzyme-substrat...				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
Cathepsin B (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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.26E+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 Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate				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