BDBM19769 (2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4S)-3-oxo-1-(pyridine-2-sulfonyl)azepan-4-yl]pentanamide::Azepan-3-one compound 1::CHEMBL286364
SMILES: CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(CC1=O)S(=O)(=O)c1ccccn1
InChI Key: InChIKey=VBPPNJCVXGAZDD-PMACEKPBSA-N
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 K (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.160 | -13.2 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Apparent inhibitory constant against human cathepsin K | J Med Chem 48: 6870-8 (2005) Article DOI: 10.1021/jm0502079 BindingDB Entry DOI: 10.7270/Q2WM1CZC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of Human cathepsin K | J Med Chem 44: 1380-95 (2001) BindingDB Entry DOI: 10.7270/Q2QR4WDC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin L2 (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory activity of the compound against Human cathepsin L | J Med Chem 44: 1380-95 (2001) BindingDB Entry DOI: 10.7270/Q2QR4WDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Apparent inhibitory constant against human cathepsin L | J Med Chem 48: 6870-8 (2005) Article DOI: 10.1021/jm0502079 BindingDB Entry DOI: 10.7270/Q2WM1CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 2.20 | -11.7 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory activity of the compound against Human cathepsin S | J Med Chem 44: 1380-95 (2001) BindingDB Entry DOI: 10.7270/Q2QR4WDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Apparent inhibitory constant against human cathepsin S | J Med Chem 48: 6870-8 (2005) Article DOI: 10.1021/jm0502079 BindingDB Entry DOI: 10.7270/Q2WM1CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Rattus norvegicus) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory activity of the compound against Rat cathepsin K | J Med Chem 44: 1380-95 (2001) BindingDB Entry DOI: 10.7270/Q2QR4WDC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin K (Rattus norvegicus) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibitory activity of the compound against Human cathepsin B | J Med Chem 44: 1380-95 (2001) BindingDB Entry DOI: 10.7270/Q2QR4WDC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Potential inhibitors were evaluated using the progress curve method. Assays were carried out in the presence of variable concentrations of test compo... | J Med Chem 49: 1597-612 (2006) Article DOI: 10.1021/jm050915u BindingDB Entry DOI: 10.7270/Q2SQ8XP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Apparent inhibitory constant against human cathepsin B | J Med Chem 48: 6870-8 (2005) Article DOI: 10.1021/jm0502079 BindingDB Entry DOI: 10.7270/Q2WM1CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description In vitro IC50 value of the compound was measured using in situ cytochem assay. | J Med Chem 44: 1380-95 (2001) BindingDB Entry DOI: 10.7270/Q2QR4WDC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description In vitro inhibitory concentration against cathepsin K in cell-based assay of bone resorption | J Med Chem 48: 6870-8 (2005) Article DOI: 10.1021/jm0502079 BindingDB Entry DOI: 10.7270/Q2WM1CZC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description In situ inhibitory concentration against cathepsin in human tissue sections containing osteoclasts | J Med Chem 48: 6870-8 (2005) Article DOI: 10.1021/jm0502079 BindingDB Entry DOI: 10.7270/Q2WM1CZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin K (Homo sapiens (Human)) | BDBM19769 ((2S)-2-(1-benzofuran-2-ylformamido)-4-methyl-N-[(4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description in vitro cell based assay for measuring the IC50 values of osteoblast resorption. | J Med Chem 44: 1380-95 (2001) BindingDB Entry DOI: 10.7270/Q2QR4WDC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |