BDBM50104709 (R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)-2-(phenylsulfonamido)propanamide::2-Benzenesulfonylamino-N-[5-(4-cyano-phenyl)-6H-[1,3,4]thiadiazin-2-yl]-propionamide::CHEMBL111450
SMILES: C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(cc1)C#N
InChI Key: InChIKey=IIABJCHWKFZJBK-CYBMUJFWSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50104709 ((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Bielefeld Curated by ChEMBL | Assay Description In vitro inhibition of human matrix metalloprotease-9 | J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50104709 ((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Bielefeld Curated by ChEMBL | Assay Description In vitro inhibitory activity against the catalytic domain of the human matrix metalloprotease-2 | J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50104709 ((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...) | PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Bielefeld Curated by ChEMBL | Assay Description In Vitro inhibitory activity against the catalytic domain of the matrix metalloprotease-13 | J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neutrophil collagenase (Homo sapiens (Human)) | BDBM50104709 ((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Bielefeld Curated by ChEMBL | Assay Description Inhibitory activity against matrix metalloprotease-8 | J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM50104709 ((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Bielefeld Curated by ChEMBL | Assay Description Inhibition of matrix metalloproteinase-14 | J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human)) | BDBM50104709 ((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Bielefeld Curated by ChEMBL | Assay Description In Vitro inhibitory activity against the catalytic domain of the matrix metalloprotease-12 | J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human)) | BDBM50104709 ((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 363 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pomona College Curated by ChEMBL | Assay Description Inhibition of MMP12 | Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50104709 ((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Bielefeld Curated by ChEMBL | Assay Description In vitro inhibitory activity against the catalytic domain of the human matrix metalloprotease-1 | J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM50104709 ((R)-N-(5-(4-cyanophenyl)-6H-1,3,4-thiadiazin-2-yl)...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Bielefeld Curated by ChEMBL | Assay Description In vitro inhibitory activity against the ectodomain of the human matrix metalloproteinase-14 | J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758 | |||||||||||
More data for this Ligand-Target Pair |