BDBM50064797 (3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-methoxy-benzyl)-piperazine-2,5-dione::CHEMBL29897
SMILES: COc1ccc(CN2[C@@H](CC3CCCCC3)C(=O)N[C@@H](CS)C2=O)cc1
InChI Key: InChIKey=QAKAOVFKLDKHAW-ROUUACIJSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50064797![]() ((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute Curated by ChEMBL | Assay Description Inhibition of Matrix Metalloproteinase-9 | J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50064797![]() ((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute Curated by ChEMBL | Assay Description Inhibition of Matrix Metalloproteinase-1 | J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50064797![]() ((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute Curated by ChEMBL | Assay Description Inhibitory activity against Matrix metalloprotease-1 | J Med Chem 42: 1348-57 (1999) Article DOI: 10.1021/jm980475p BindingDB Entry DOI: 10.7270/Q24Q7T5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50064797![]() ((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute Curated by ChEMBL | Assay Description Inhibitory activity against Matrix metalloprotease-9 | J Med Chem 42: 1348-57 (1999) Article DOI: 10.1021/jm980475p BindingDB Entry DOI: 10.7270/Q24Q7T5X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50064797![]() ((3R,6S)-6-Cyclohexylmethyl-3-mercaptomethyl-1-(4-m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Affymax Research Institute Curated by ChEMBL | Assay Description Inhibition of Matrix Metalloproteinase-3 | J Med Chem 41: 2194-200 (1998) Article DOI: 10.1021/jm980133j BindingDB Entry DOI: 10.7270/Q2J38RN8 | |||||||||||
More data for this Ligand-Target Pair |