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Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'akahoshi' and Initial = 'a'   
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)
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 20n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha (unknown origin) expressed in COS1 cells incubated for 18 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 334-8 (2015)


Article DOI: 10.1021/ml500511m
BindingDB Entry DOI: 10.7270/Q25T3N7K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50086254
PNG
(CHEMBL3425828)
Show SMILES CCN(c1ccc(OCC(C)CF)c(c1)C(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C21H27FN2O3/c1-5-24(20-9-6-16(12-23-20)21(25)26)17-7-8-19(18(10-17)14(2)3)27-13-15(4)11-22/h6-10,12,14-15H,5,11,13H2,1-4H3,(H,25,26)
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n/an/an/an/a 450n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha (unknown origin) expressed in COS1 cells incubated for 18 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 334-8 (2015)


Article DOI: 10.1021/ml500511m
BindingDB Entry DOI: 10.7270/Q25T3N7K
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50339081
PNG
(6-[Ethyl-(3-isobutoxy-4-isopropylphenyl)amino]nico...)
Show SMILES CCN(c1ccc(C(C)C)c(OCC(C)C)c1)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-18(15(4)5)19(11-17)26-13-14(2)3/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
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n/an/an/an/a 19n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha (unknown origin) expressed in COS1 cells incubated for 18 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 334-8 (2015)


Article DOI: 10.1021/ml500511m
BindingDB Entry DOI: 10.7270/Q25T3N7K
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50086256
PNG
(CHEMBL3425764)
Show SMILES CCN(c1ccc(C(C)C)c(OCC(C)CF)c1)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C21H27FN2O3/c1-5-24(20-9-6-16(12-23-20)21(25)26)17-7-8-18(14(2)3)19(10-17)27-13-15(4)11-22/h6-10,12,14-15H,5,11,13H2,1-4H3,(H,25,26)
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n/an/an/an/a 12n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha (unknown origin) expressed in COS1 cells incubated for 18 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 334-8 (2015)


Article DOI: 10.1021/ml500511m
BindingDB Entry DOI: 10.7270/Q25T3N7K
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens)
BDBM50086255
PNG
(CHEMBL3425765)
Show SMILES CCN(c1ccc(OCC(C)C)c(c1)C(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C21H28N2O3/c1-6-23(20-10-7-16(12-22-20)21(24)25)17-8-9-19(26-13-14(2)3)18(11-17)15(4)5/h7-12,14-15H,6,13H2,1-5H3,(H,24,25)
PDB
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Article
PubMed
n/an/an/an/a 169n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha (unknown origin) expressed in COS1 cells incubated for 18 hrs by luciferase reporter gene assay


ACS Med Chem Lett 6: 334-8 (2015)


Article DOI: 10.1021/ml500511m
BindingDB Entry DOI: 10.7270/Q25T3N7K
More data for this
Ligand-Target Pair