BDBM31892 9-cis retinoic acid::9C-RA::CHEMBL705::Panretin::alitretinoin

SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O

InChI Key InChIKey=SHGAZHPCJJPHSC-ZVCIMWCZSA-N

Data  19 KI  10 IC50  44 Kd  76 EC50

PDB links: 24 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 31892   

TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM31892(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Affinity DataKd:  16nMAssay Description:Binding affinity to human RXRalpha LBD (T225 to T462 residues) by fluorescence quenching assayMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM31892(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Affinity DataEC50:  170nMAssay Description:Agonist activity at human GAL4-fused RXRalpha LBD (T225 to T462 residues) expressed in HEK293 cells incubated for 24 hrs by Dual-Glo luciferase assayMore data for this Ligand-Target Pair