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PubMed code 18690216

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM31892
PNG
(9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
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Article
PubMed
n/an/an/a 240n/an/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Binding affinity to RXRalpha


Nat Chem Biol 4: 548-56 (2008)


Article DOI: 10.1038/nchembio.106
BindingDB Entry DOI: 10.7270/Q2959JHW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM50378798
PNG
(CYTOSPORONE B)
Show SMILES CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC
Show InChI InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
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n/an/an/a 1.51E+3n/an/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Binding affinity to NuR77-LBD receptor expressed in human BGC823 cells


Nat Chem Biol 4: 548-56 (2008)


Article DOI: 10.1038/nchembio.106
BindingDB Entry DOI: 10.7270/Q2959JHW
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM50378798
PNG
(CYTOSPORONE B)
Show SMILES CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC
Show InChI InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
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n/an/an/a 740n/an/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Binding affinity to Nur77 receptor expressed in human BGC823 cells


Nat Chem Biol 4: 548-56 (2008)


Article DOI: 10.1038/nchembio.106
BindingDB Entry DOI: 10.7270/Q2959JHW
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM50378798
PNG
(CYTOSPORONE B)
Show SMILES CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC
Show InChI InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
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PC cid
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UniChem
Article
PubMed
n/an/an/an/a 0.278n/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Agonist activity at nuclear orphan receptor Nur77 expressed in human BGC823 cells co-transfected with fused GAL4-Nur77 assessed as transactivation af...


Nat Chem Biol 4: 548-56 (2008)


Article DOI: 10.1038/nchembio.106
BindingDB Entry DOI: 10.7270/Q2959JHW
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM50378798
PNG
(CYTOSPORONE B)
Show SMILES CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC
Show InChI InChI=1S/C18H26O5/c1-3-5-6-7-8-9-15(20)18-13(11-17(22)23-4-2)10-14(19)12-16(18)21/h10,12,19,21H,3-9,11H2,1-2H3
PDB
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.115n/an/an/an/a



Xiamen University

Curated by ChEMBL


Assay Description
Agonist activity at nuclear orphan receptor Nur77 expressed in human BGC823 cells co-transfected with fused GAL4-LBD assessed as transactivation afte...


Nat Chem Biol 4: 548-56 (2008)


Article DOI: 10.1038/nchembio.106
BindingDB Entry DOI: 10.7270/Q2959JHW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%