BDBM28482 (2S)-2-({11-[(methoxycarbonyl)amino]-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-5-}sulfonamido)-3-methylbutanoic acid::dibenzofuran (DBF) scaffold, (S)-27
SMILES: COC(=O)Nc1ccc2c(c1)oc1cc(ccc21)S(=O)(=O)N[C@@H](C(C)C)C(O)=O
InChI Key: InChIKey=SKLOAVPDSDQCQV-KRWDZBQOSA-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-12 (MMP12) (Homo sapiens (Human)) | BDBM28482 ((2S)-2-({11-[(methoxycarbonyl)amino]-8-oxatricyclo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | 7.5 | 22 |
Wyeth Research | Assay Description The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v... | J Med Chem 52: 1799-802 (2009) Article DOI: 10.1021/jm900093d BindingDB Entry DOI: 10.7270/Q2X928NP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM28482 ((2S)-2-({11-[(methoxycarbonyl)amino]-8-oxatricyclo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 505 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP13 | J Med Chem 52: 5408-19 (2009) Article DOI: 10.1021/jm900809r BindingDB Entry DOI: 10.7270/Q21J99SW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Matrix metalloproteinase-12 (MMP12) (Homo sapiens (Human)) | BDBM28482 ((2S)-2-({11-[(methoxycarbonyl)amino]-8-oxatricyclo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of human recombinant MMP12 | J Med Chem 52: 5408-19 (2009) Article DOI: 10.1021/jm900809r BindingDB Entry DOI: 10.7270/Q21J99SW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM28482 ((2S)-2-({11-[(methoxycarbonyl)amino]-8-oxatricyclo...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research | Assay Description The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v... | J Med Chem 52: 1799-802 (2009) Article DOI: 10.1021/jm900093d BindingDB Entry DOI: 10.7270/Q2X928NP | |||||||||||
More data for this Ligand-Target Pair |