BDBM50100135 (E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)styrylbenzene::5-[2-{4-[2-(3-carboxy-4-methoxyphenyl)-(E)-1-ethenyl]-2-iodophenyl}-(E)-1-ethenyl]-2-methoxybenzoic acid::CHEMBL292910
SMILES: COc1ccc(\C=C\c2ccc(\C=C\c3ccc(OC)c(c3)C(O)=O)c(I)c2)cc1C(O)=O
InChI Key: InChIKey=VBKPAELBRQCOJD-PRKJJMSOSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Beta amyloid A4 protein (Homo sapiens (Human)) | BDBM50100135 ((E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB | J Med Chem 44: 1905-14 (2001) BindingDB Entry DOI: 10.7270/Q2V69HV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta amyloid A4 protein (Homo sapiens (Human)) | BDBM50100135 ((E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Inhibition constant for aggregates of amyloid beta compared to [125I]-IMSB | J Med Chem 44: 1905-14 (2001) BindingDB Entry DOI: 10.7270/Q2V69HV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta amyloid A4 protein (Homo sapiens (Human)) | BDBM50100135 ((E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [125I](E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)styrylbenzene from beta amyloid peptide in brain tissue at 50 uL | J Med Chem 49: 2841-4 (2006) Article DOI: 10.1021/jm051020k BindingDB Entry DOI: 10.7270/Q2Q23ZT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta amyloid A4 protein (Homo sapiens (Human)) | BDBM50100135 ((E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [125I]2-(4'-dimethylaminophenyl)-6-iodoimidazo[1,2-a]pyridine from beta amyloid peptide in brain tissue at 50 uL | J Med Chem 49: 2841-4 (2006) Article DOI: 10.1021/jm051020k BindingDB Entry DOI: 10.7270/Q2Q23ZT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta amyloid A4 protein (Homo sapiens (Human)) | BDBM50100135 ((E,E)-1-iodo-2,5-bis-(3-hydroxycarbonyl-4-methoxy)...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Inhibition constant for amyloid beta compared to [125I]-TZDM | J Med Chem 44: 1905-14 (2001) BindingDB Entry DOI: 10.7270/Q2V69HV8 | |||||||||||
More data for this Ligand-Target Pair |