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BDBM50445060 CHEMBL3098773

SMILES: C[C@@H]1CC\C(=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c2ccccc12

InChI Key: InChIKey=IUAWGSHMQSZQSY-ARGJGUSHSA-N

Data: 1 Kd  3 EC50

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 4 hits for monomerid = 50445060   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NR2B Channel Blocker


(RAT)
BDBM50445060
PNG
(CHEMBL3098773)
Show SMILES C[C@@H]1CC\C(=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c2ccccc12
Show InChI InChI=1S/C21H24O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-10,13-14,17H,11-12H2,1-3H3,(H,22,23)/b8-6+,15-7-,16-14+,18-13+/t17-/m1/s1
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Article
PubMed
n/an/an/an/a 19n/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Agonist activity at RXR-alpha in rat R3KE cells infected with oncogene KLF4-ER assessed as inhibition of KLF4-mediated oncogenic transformation


J Med Chem 57: 5370-80 (2014)


Article DOI: 10.1021/jm5004792
BindingDB Entry DOI: 10.7270/Q2183821
More data for this
Ligand-Target Pair
NR2B Channel Blocker


(RAT)
BDBM50445060
PNG
(CHEMBL3098773)
Show SMILES C[C@@H]1CC\C(=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c2ccccc12
Show InChI InChI=1S/C21H24O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-10,13-14,17H,11-12H2,1-3H3,(H,22,23)/b8-6+,15-7-,16-14+,18-13+/t17-/m1/s1
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 120n/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha in rat RK3E cells assessed as transcriptional activation by luciferase reporter gene assay


Bioorg Med Chem 22: 178-85 (2013)


Article DOI: 10.1016/j.bmc.2013.11.039
BindingDB Entry DOI: 10.7270/Q2MW2JMM
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50445060
PNG
(CHEMBL3098773)
Show SMILES C[C@@H]1CC\C(=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c2ccccc12
Show InChI InChI=1S/C21H24O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-10,13-14,17H,11-12H2,1-3H3,(H,22,23)/b8-6+,15-7-,16-14+,18-13+/t17-/m1/s1
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KEGG

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Article
PubMed
n/an/an/an/a 120n/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Agonist activity at Gal4-fused human RXR-alpha expressed in HEK293 cells assessed as receptor-mediated transcriptional activity treated 24 hrs after ...


J Med Chem 57: 5370-80 (2014)


Article DOI: 10.1021/jm5004792
BindingDB Entry DOI: 10.7270/Q2183821
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50445060
PNG
(CHEMBL3098773)
Show SMILES C[C@@H]1CC\C(=C/C(/C)=C\C=C\C(\C)=C\C(O)=O)c2ccccc12
Show InChI InChI=1S/C21H24O2/c1-15(7-6-8-16(2)14-21(22)23)13-18-12-11-17(3)19-9-4-5-10-20(18)19/h4-10,13-14,17H,11-12H2,1-3H3,(H,22,23)/b8-6+,15-7-,16-14+,18-13+/t17-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 25n/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Binding affinity to human RXR-alpha-ligand binding domain homodimers by fluorescence quenching method


J Med Chem 57: 5370-80 (2014)


Article DOI: 10.1021/jm5004792
BindingDB Entry DOI: 10.7270/Q2183821
More data for this
Ligand-Target Pair