BDBM50106655 (2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-ylamino)carbonyl]butyl}-3-[formyl(hydroxy)amino]-2-isobutylhexanamide::CHEMBL336425
SMILES: CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)Nc1nccs1)N(O)C=O
InChI Key: InChIKey=YKVNFNGMIAJYOQ-PMPSAXMXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Matrix metalloproteinase-9 (Homo sapiens (Human)) | BDBM50106655 ((2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-yl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-9 | J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stromelysin-1 (Homo sapiens (Human)) | BDBM50106655 ((2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-yl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-3 | J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Interstitial collagenase (Homo sapiens (Human)) | BDBM50106655 ((2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-yl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition potency was determined by fluorescence-based peptide assay against matrix metalloprotease-1 | J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human)) | BDBM50106655 ((2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-yl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Inhibition of TACE using scintillation proximity assay (SPA) | J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5 | |||||||||||
More data for this Ligand-Target Pair |