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SMILES: Cc1cc2c(cc1-n1c(nc3cc(ccc13)C(O)=O)C(F)(F)F)C(C)(C)CCC2(C)C

InChI Key: InChIKey=GBMUQLAGEWYKTJ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50429866   
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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50429866
PNG
(CHEMBL2332887)
Show SMILES Cc1cc2c(cc1-n1c(nc3cc(ccc13)C(O)=O)C(F)(F)F)C(C)(C)CCC2(C)C |(23.28,-13.29,;21.95,-14.06,;20.61,-13.28,;19.28,-14.05,;19.28,-15.59,;20.6,-16.36,;21.94,-15.6,;23.27,-16.37,;23.43,-17.9,;24.94,-18.23,;25.71,-16.9,;27.22,-16.58,;27.7,-15.12,;26.67,-13.97,;25.17,-14.29,;24.69,-15.75,;29.21,-14.81,;30.24,-15.95,;29.69,-13.33,;22.29,-18.93,;20.84,-18.45,;22.61,-20.43,;21.2,-20.01,;17.92,-16.37,;16.94,-17.54,;18.94,-17.52,;16.61,-15.59,;16.6,-14.04,;17.96,-13.26,;18.94,-12.09,;16.93,-12.11,)|
Show InChI InChI=1S/C24H25F3N2O2/c1-13-10-15-16(23(4,5)9-8-22(15,2)3)12-19(13)29-18-7-6-14(20(30)31)11-17(18)28-21(29)24(25,26)27/h6-7,10-12H,8-9H2,1-5H3,(H,30,31)
PDB
MMDB

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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha expressed in African green monkey COS1 cells harboring CRBP2-tk-luc reporter incubated for 18 hrs by steady-glo lu...


Bioorg Med Chem Lett 29: 1891-1894 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.050
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50429866
PNG
(CHEMBL2332887)
Show SMILES Cc1cc2c(cc1-n1c(nc3cc(ccc13)C(O)=O)C(F)(F)F)C(C)(C)CCC2(C)C |(23.28,-13.29,;21.95,-14.06,;20.61,-13.28,;19.28,-14.05,;19.28,-15.59,;20.6,-16.36,;21.94,-15.6,;23.27,-16.37,;23.43,-17.9,;24.94,-18.23,;25.71,-16.9,;27.22,-16.58,;27.7,-15.12,;26.67,-13.97,;25.17,-14.29,;24.69,-15.75,;29.21,-14.81,;30.24,-15.95,;29.69,-13.33,;22.29,-18.93,;20.84,-18.45,;22.61,-20.43,;21.2,-20.01,;17.92,-16.37,;16.94,-17.54,;18.94,-17.52,;16.61,-15.59,;16.6,-14.04,;17.96,-13.26,;18.94,-12.09,;16.93,-12.11,)|
Show InChI InChI=1S/C24H25F3N2O2/c1-13-10-15-16(23(4,5)9-8-22(15,2)3)12-19(13)29-18-7-6-14(20(30)31)11-17(18)28-21(29)24(25,26)27/h6-7,10-12H,8-9H2,1-5H3,(H,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 15n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Partial agonist activity at RXRalpha (unknown origin) expressed in COS1 cells after 18 hrs by luciferase reporter gene assay


J Med Chem 56: 1865-77 (2013)


Article DOI: 10.1021/jm400033f
BindingDB Entry DOI: 10.7270/Q2348MR8
More data for this
Ligand-Target Pair