BDBM50091698 (2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-cyclohex-1-enyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid::4-((+/-)-(1H-imidazol-1-yl)-(E)-retinoic acid::CHEMBL57765
SMILES: C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O
InChI Key: InChIKey=MRFBVQCSZMKBFY-UBFIAYEVSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Retinoid X receptor gamma/retinoic acid receptor alpha (Homo sapiens (Human)) | BDBM50091698 ((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Displacement of [11,12-3H]ARTA from RARalpha | J Med Chem 47: 6716-29 (2004) Article DOI: 10.1021/jm0401457 BindingDB Entry DOI: 10.7270/Q2K64HJV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Retinoid receptor (Homo sapiens (Human)) | BDBM50091698 ((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.75E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Displacement of [11,12-3H]ARTA from RARbeta | J Med Chem 47: 6716-29 (2004) Article DOI: 10.1021/jm0401457 BindingDB Entry DOI: 10.7270/Q2K64HJV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome CYP26A1 (Homo sapiens (Human)) | BDBM50091698 ((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRA | J Med Chem 47: 6716-29 (2004) Article DOI: 10.1021/jm0401457 BindingDB Entry DOI: 10.7270/Q2K64HJV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome CYP26A1 (Homo sapiens (Human)) | BDBM50091698 ((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRA | J Med Chem 47: 6716-29 (2004) Article DOI: 10.1021/jm0401457 BindingDB Entry DOI: 10.7270/Q2K64HJV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome CYP26A1 (Homo sapiens (Human)) | BDBM50091698 ((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 10.9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland Curated by ChEMBL | Assay Description Inhibition of ATRA-induced CYP26 in human MCF7 cells assessed ATRA as metabolism using [11.12-3H]-ATRA | J Med Chem 47: 6716-29 (2004) Article DOI: 10.1021/jm0401457 BindingDB Entry DOI: 10.7270/Q2K64HJV | |||||||||||
More data for this Ligand-Target Pair |