BDBM50103991 4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesulfonyl)-{[(pyridin-3-ylmethyl)-carbamoyl]-methyl}-amino)-butyramide::CHEMBL106016
SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1cccnc1)C(CCSCc1ccccc1)C(=O)NO
InChI Key: InChIKey=MMOBDSFVSOBMOV-UHFFFAOYSA-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)) | BDBM50103991 (4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description In vitro inhibition of human matrix metalloprotease-9 | J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50103991 (4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesu...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description In vitro inhibition of human matrix metalloprotease-13 | J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50103991 (4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description In vitro inhibition of human matrix metalloprotease-2 | J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50103991 (4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description In vitro inhibition of human matrix metalloprotease-1 | J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50103991 (4-Benzylsulfanyl-N-hydroxy-2-((4-methoxy-benzenesu...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Montréal Curated by ChEMBL | Assay Description In vitro inhibitory activity against matrix metalloprotease-3 | J Med Chem 44: 3066-73 (2001) BindingDB Entry DOI: 10.7270/Q27S7N24 | |||||||||||
More data for this Ligand-Target Pair |