BDBM50082534 (S)-2,2-Dimethyl-4-(5-pyridin-2-yl-thiophene-2-sulfonyl)-[1,4]thiazepane-3-carboxylic acid hydroxyamide::CHEMBL344633
SMILES: CC1(C)SCCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(s1)-c1ccccn1
InChI Key: InChIKey=TUSYEXLVYIINDP-HNNXBMFYSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Interstitial collagenase (Homo sapiens (Human)) | BDBM50082534 ((S)-2,2-Dimethyl-4-(5-pyridin-2-yl-thiophene-2-sul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against truncated collagenase-1 (matrix metalloprotease-1). | J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50082534 ((S)-2,2-Dimethyl-4-(5-pyridin-2-yl-thiophene-2-sul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against gelatinase-A (matrix metalloprotease-2). | J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50082534 ((S)-2,2-Dimethyl-4-(5-pyridin-2-yl-thiophene-2-sul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against matrix metalloprotease-3. | J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrilysin (Homo sapiens (Human)) | BDBM50082534 ((S)-2,2-Dimethyl-4-(5-pyridin-2-yl-thiophene-2-sul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory activity against matrilysin (matrix metalloprotease-7). | J Med Chem 42: 4547-62 (1999) BindingDB Entry DOI: 10.7270/Q2D79C32 | |||||||||||
More data for this Ligand-Target Pair |