BDBM25134 2-cyano-pyrropyrimidine, 2::7-(2-cyclohexylethyl)-6-[4-(4-acetylpiperazin-1-yl)phenoxymethyl]-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile::CHEMBL481170
SMILES: CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1
InChI Key: InChIKey=SZVFURKQYHRIBV-UHFFFAOYSA-N
Data: 9 IC50
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 S (Homo sapiens (Human)) | BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Novartis | Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor... | J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Mus musculus (Mouse)) | BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Novartis | Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor... | J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Novartis | Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor... | J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Rattus norvegicus) | BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | 7.0 | 22 |
Novartis | Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor... | J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin L by fluorescence assay | Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin L (Rattus norvegicus) | BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis | Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor... | J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin S by fluorescence assay | Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human recombinant cathepsin K by fluorescence assay | Bioorg Med Chem Lett 18: 3959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.06.009 BindingDB Entry DOI: 10.7270/Q23N235B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis | Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor... | J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR | |||||||||||
More data for this Ligand-Target Pair |