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SMILES: CN1c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C

InChI Key: InChIKey=FIHASMHGRHRIGK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50218483   
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))
BDBM50218483
PNG
(4-[5,7,7,10,10-pentamethyl-2-(naphthalene-1-sulfon...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25|
Show InChI InChI=1S/C39H37N3O4S/c1-38(2)19-20-39(3,4)31-23-34-29(22-30(31)38)36(25-13-15-26(16-14-25)37(43)44)40-32-21-27(17-18-33(32)42(34)5)41-47(45,46)35-12-8-10-24-9-6-7-11-28(24)35/h6-18,21-23,41H,19-20H2,1-5H3,(H,43,44)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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DrugBank
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GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218483
PNG
(4-[5,7,7,10,10-pentamethyl-2-(naphthalene-1-sulfon...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:25|
Show InChI InChI=1S/C39H37N3O4S/c1-38(2)19-20-39(3,4)31-23-34-29(22-30(31)38)36(25-13-15-26(16-14-25)37(43)44)40-32-21-27(17-18-33(32)42(34)5)41-47(45,46)35-12-8-10-24-9-6-7-11-28(24)35/h6-18,21-23,41H,19-20H2,1-5H3,(H,43,44)
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/a 850n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair