BDBM50173221 (R)-2-{4'-[(5-Bromo-4-methoxy-3-methyl-benzofuran-2-carbonyl)-amino]-biphenyl-4-sulfonylamino}-3-methyl-butyric acid::CHEMBL199158
SMILES: COc1c(Br)ccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@H](C(C)C)C(O)=O)c(C)c12
InChI Key: InChIKey=HHHAELOQIYTSIY-XMMPIXPASA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
72 kDa type IV collagenase (Homo sapiens (Human)) | BDBM50173221 ((R)-2-{4'-[(5-Bromo-4-methoxy-3-methyl-benzofuran-...) | 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 | 688 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory concentration against MMP-2 | Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Collagenase 3 (Homo sapiens (Human)) | BDBM50173221 ((R)-2-{4'-[(5-Bromo-4-methoxy-3-methyl-benzofuran-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory concentration against MMP-13 | Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH | |||||||||||
More data for this Ligand-Target Pair |