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BDBM50508815 CHEMBL1381178

SMILES: OC(=O)c1ccc(COc2ccc3CCCc3c2)cc1

InChI Key: InChIKey=YIJFUZLNVSGATG-UHFFFAOYSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50508815   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Retinoid receptor


(Homo sapiens (Human))
BDBM50508815
PNG
(CHEMBL1381178)
Show SMILES OC(=O)c1ccc(COc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C17H16O3/c18-17(19)14-6-4-12(5-7-14)11-20-16-9-8-13-2-1-3-15(13)10-16/h4-10H,1-3,11H2,(H,18,19)
PDB
MMDB

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UniProtKB/TrEMBL

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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 8.80E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRbeta LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50508815
PNG
(CHEMBL1381178)
Show SMILES OC(=O)c1ccc(COc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C17H16O3/c18-17(19)14-6-4-12(5-7-14)11-20-16-9-8-13-2-1-3-15(13)10-16/h4-10H,1-3,11H2,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.70E+4n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRgamma LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50508815
PNG
(CHEMBL1381178)
Show SMILES OC(=O)c1ccc(COc2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C17H16O3/c18-17(19)14-6-4-12(5-7-14)11-20-16-9-8-13-2-1-3-15(13)10-16/h4-10H,1-3,11H2,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.70E+3n/an/an/an/a



Goethe-University Frankfurt

Curated by ChEMBL


Assay Description
Agonist activity at human Gal4-DBD fused RXRalpha LBD expressed in HEK293T cells after 12 to 14 hrs by luciferase reporter gene assay


ACS Med Chem Lett 10: 203-208 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00551
More data for this
Ligand-Target Pair