BDBM50101492 (R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-ethyl)-N*4*-hydroxy-2-(3-phenyl-propyl)-succinamide::CHEMBL75403::N*1*-(2-Cyclohexyl-1-phenethylcarbamoyl-ethyl)-N*4*-hydroxy-2-(3-phenyl-propyl)-succinamide
SMILES: ONC(=O)C[C@@H](CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1
InChI Key: InChIKey=FMRZZWFHPADOAW-SXOMAYOGSA-N
Data: 9 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50101492 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of the Gelatinase-A enzyme was determined from purified NSO cells. | Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50101492 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy Curated by ChEMBL | Assay Description Inhibitory constant against matrix metalloproteinase-2 | J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50101492 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of the gelatinase-A enzyme. | Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50101492 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of the Stromelysin enzyme was determined from purified NSO cells. | Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50101492 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy Curated by ChEMBL | Assay Description Inhibitory constant against matrix metalloproteinase-3 | J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50101492 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of the stromelysin enzyme. | Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50101492 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Royal Danish School of Pharmacy Curated by ChEMBL | Assay Description Inhibitory constant against matrix metalloproteinase-1 | J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50101492 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of the Collagenase enzyme was determined from purified NSO cells. | Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50101492 ((R)-N*1*-((S)-2-Cyclohexyl-1-phenethylcarbamoyl-et...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 203 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of the collagenase enzyme. | Bioorg Med Chem Lett 4: 2741-2746 (1994) Article DOI: 10.1016/S0960-894X(01)80587-4 BindingDB Entry DOI: 10.7270/Q2P84BT0 | |||||||||||
More data for this Ligand-Target Pair |