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SMILES: CN1c2ccc(NS(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C

InChI Key: InChIKey=HCCNVSBVWKFAOW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50218491   
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))
BDBM50218491
PNG
(4-[2-(3,5-bis-trifluoromethyl-benzenesulfonylamino...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:28|
Show InChI InChI=1S/C37H33F6N3O4S/c1-34(2)12-13-35(3,4)28-19-31-26(18-27(28)34)32(20-6-8-21(9-7-20)33(47)48)44-29-17-24(10-11-30(29)46(31)5)45-51(49,50)25-15-22(36(38,39)40)14-23(16-25)37(41,42)43/h6-11,14-19,45H,12-13H2,1-5H3,(H,47,48)
PDB
MMDB

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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+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))
BDBM50218491
PNG
(4-[2-(3,5-bis-trifluoromethyl-benzenesulfonylamino...)
Show SMILES CN1c2ccc(NS(=O)(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C |t:28|
Show InChI InChI=1S/C37H33F6N3O4S/c1-34(2)12-13-35(3,4)28-19-31-26(18-27(28)34)32(20-6-8-21(9-7-20)33(47)48)44-29-17-24(10-11-30(29)46(31)5)45-51(49,50)25-15-22(36(38,39)40)14-23(16-25)37(41,42)43/h6-11,14-19,45H,12-13H2,1-5H3,(H,47,48)
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 1.20E+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 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