BDBM50101504 CHEMBL77057::N*1*-{2-Cyclohexyl-1-[2-(4-dimethylamino-butylcarbamoyl)-ethylcarbamoyl]-ethyl}-N*4*-hydroxy-2-(3-p-tolyl-propyl)-succinamide
SMILES: CN(C)CCCCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(C)cc1)CC(=O)NO
InChI Key: InChIKey=DKPQMSLWGNDZTO-IZLXSDGUSA-N
Data: 3 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)) | BDBM50101504 (CHEMBL77057 | N*1*-{2-Cyclohexyl-1-[2-(4-dimethyla...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0200 | 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 | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50101504 (CHEMBL77057 | N*1*-{2-Cyclohexyl-1-[2-(4-dimethyla...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.87 | 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 | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50101504 (CHEMBL77057 | N*1*-{2-Cyclohexyl-1-[2-(4-dimethyla...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 313 | 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 |