BDBM50341803 (1S,2R,3R)-1-(8-Fluoro-1,2,3,4-tetrahydropyrazino[1,2-a]-benzimidazole-2-sulfonylamino)-2-methyl-3-phenylcyclopropanecarboxylicAcid::CHEMBL1767005
SMILES: C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(C1)nc1cc(F)ccc21)C(O)=O
InChI Key: InChIKey=SHSGVWNTSAKSFC-DYHNYNMBSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) (Homo sapiens (Human)) | BDBM50341803 ((1S,2R,3R)-1-(8-Fluoro-1,2,3,4-tetrahydropyrazino[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader | J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM50341803 ((1S,2R,3R)-1-(8-Fluoro-1,2,3,4-tetrahydropyrazino[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant TACE after 60 mins by fluorescence plate reader | J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50341803 ((1S,2R,3R)-1-(8-Fluoro-1,2,3,4-tetrahydropyrazino[...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP1 after 60 mins by fluorescence plate reader | J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-14 (MMP14) (Homo sapiens (Human)) | BDBM50341803 ((1S,2R,3R)-1-(8-Fluoro-1,2,3,4-tetrahydropyrazino[...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader | J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D | |||||||||||
More data for this Ligand-Target Pair |