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Compile Data Set for Download or QSAR

Found 84 hits with Last Name = 'daver' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457541
PNG
(CHEMBL4216161)
Show SMILES COCCOCOc1ccc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(C(O)=O)c(C)c1
Show InChI InChI=1S/C32H38O5/c1-21-17-22(7-10-25(21)30(33)34)23-9-12-29(37-20-36-16-15-35-6)26(18-23)24-8-11-27-28(19-24)32(4,5)14-13-31(27,2)3/h7-12,17-19H,13-16,20H2,1-6H3,(H,33,34)
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n/an/an/an/a 7.40n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457542
PNG
(CHEMBL4212472)
Show SMILES CC1(C)CCSc2ccc(cc12)C#Cc1cccc(n1)C(O)=O
Show InChI InChI=1S/C19H17NO2S/c1-19(2)10-11-23-17-9-7-13(12-15(17)19)6-8-14-4-3-5-16(20-14)18(21)22/h3-5,7,9,12H,10-11H2,1-2H3,(H,21,22)
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n/an/an/an/a 11n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457543
PNG
(CHEMBL3934863)
Show SMILES OCCCCOc1ccc(cc1-c1ccc(N2CCCC2)c(c1)C(F)(F)F)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H28F3NO4/c29-28(30,31)24-18-22(9-11-25(24)32-13-1-2-14-32)23-17-21(10-12-26(23)36-16-4-3-15-33)19-5-7-20(8-6-19)27(34)35/h5-12,17-18,33H,1-4,13-16H2,(H,34,35)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457544
PNG
(CHEMBL3936922)
Show SMILES CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H35NO4/c1-6-30(7-2)26-14-12-23(19-25(26)29(3,4)5)24-18-22(13-15-27(24)34-17-16-31)20-8-10-21(11-9-20)28(32)33/h8-15,18-19,31H,6-7,16-17H2,1-5H3,(H,32,33)
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n/an/an/an/a 25n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457545
PNG
(CHEMBL4210286)
Show SMILES CCN(CC)c1ccc(cc1)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H29NO4/c1-3-27(4-2)23-13-10-20(11-14-23)24-18-22(12-15-25(24)31-17-5-16-28)19-6-8-21(9-7-19)26(29)30/h6-15,18,28H,3-5,16-17H2,1-2H3,(H,29,30)
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n/an/an/an/a 353n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated f...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457546
PNG
(CHEMBL4206237)
Show SMILES COc1ccc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H30O3/c1-27(2)14-15-28(3,4)24-17-21(10-12-23(24)27)22-16-20(11-13-25(22)31-5)18-6-8-19(9-7-18)26(29)30/h6-13,16-17H,14-15H2,1-5H3,(H,29,30)
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n/an/an/an/a 212n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457547
PNG
(CHEMBL3953756)
Show SMILES CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H37NO4/c1-31(2,3)27-21-25(12-14-28(27)32-16-4-5-17-32)26-20-24(13-15-29(26)36-19-7-6-18-33)22-8-10-23(11-9-22)30(34)35/h8-15,20-21,33H,4-7,16-19H2,1-3H3,(H,34,35)
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n/an/an/an/a 103n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457548
PNG
(CD-5789 | TRIFAROTENE | Trifarotene)
Show SMILES CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)
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n/an/an/an/a 500n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457549
PNG
(CHEMBL3960035)
Show SMILES CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H39NO4/c1-6-32(7-2)28-16-14-25(21-27(28)31(3,4)5)26-20-24(15-17-29(26)36-19-9-8-18-33)22-10-12-23(13-11-22)30(34)35/h10-17,20-21,33H,6-9,18-19H2,1-5H3,(H,34,35)
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n/an/an/an/a 17n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457550
PNG
(CHEMBL4207978)
Show SMILES CC(C)(C)c1cc(ccc1NCCCCO)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H35NO5/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-31)24-18-22(11-13-27(24)35-17-16-32)20-6-8-21(9-7-20)28(33)34/h6-13,18-19,30-32H,4-5,14-17H2,1-3H3,(H,33,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM31888
PNG
(CD666)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(O)\C=C\c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C24H28O3/c1-23(2)13-14-24(3,4)20-15-18(10-11-19(20)23)21(25)12-7-16-5-8-17(9-6-16)22(26)27/h5-12,15,21,25H,13-14H2,1-4H3,(H,26,27)/b12-7+
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n/an/an/an/a 46n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM393289
PNG
(US9963439, BMS961)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(O)C(=O)Nc1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)
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n/an/an/an/a 51n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50048291
PNG
(6-(3-Adamantan-1-yl-4-hydroxy-phenyl)-naphthalene-...)
Show SMILES OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)
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n/an/an/an/a 49n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457551
PNG
(CHEMBL4217953)
Show SMILES COCCOCOc1ccc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H36O5/c1-30(2)14-15-31(3,4)27-19-24(10-12-26(27)30)25-18-23(21-6-8-22(9-7-21)29(32)33)11-13-28(25)36-20-35-17-16-34-5/h6-13,18-19H,14-17,20H2,1-5H3,(H,32,33)
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n/an/an/an/a 6n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457552
PNG
(CHEMBL4210595)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H34O4/c1-29(2)14-15-30(3,4)26-19-23(10-12-25(26)29)24-18-22(11-13-27(24)34-17-5-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,5,14-17H2,1-4H3,(H,32,33)
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n/an/an/an/a 0.220n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457553
PNG
(CHEMBL4210099)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1CO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H30O3/c1-27(2)13-14-28(3,4)25-16-21(11-12-24(25)27)23-15-20(9-10-22(23)17-29)18-5-7-19(8-6-18)26(30)31/h5-12,15-16,29H,13-14,17H2,1-4H3,(H,30,31)
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n/an/an/an/a 4.40n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457554
PNG
(CHEMBL4202830)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1CCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H32O3/c1-28(2)14-15-29(3,4)26-18-23(11-12-25(26)28)24-17-22(10-7-20(24)13-16-30)19-5-8-21(9-6-19)27(31)32/h5-12,17-18,30H,13-16H2,1-4H3,(H,31,32)
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n/an/an/an/a 1.40n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457555
PNG
(CHEMBL4214493)
Show SMILES COCCOCOc1c(Cl)cc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H35ClO5/c1-30(2)12-13-31(3,4)26-17-22(10-11-25(26)30)24-16-23(20-6-8-21(9-7-20)29(33)34)18-27(32)28(24)37-19-36-15-14-35-5/h6-11,16-18H,12-15,19H2,1-5H3,(H,33,34)
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Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457556
PNG
(CHEMBL4217018)
Show SMILES COCCOCOc1ccc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1OC)C(O)=O
Show InChI InChI=1S/C32H38O6/c1-31(2)13-14-32(3,4)27-18-22(8-11-26(27)31)25-17-21(9-12-28(25)38-20-37-16-15-35-5)24-10-7-23(30(33)34)19-29(24)36-6/h7-12,17-19H,13-16,20H2,1-6H3,(H,33,34)
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Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457557
PNG
(CHEMBL4215630)
Show SMILES COCCOCOc1ccc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1C)C(O)=O
Show InChI InChI=1S/C32H38O5/c1-21-17-24(30(33)34)7-10-25(21)22-9-12-29(37-20-36-16-15-35-6)26(18-22)23-8-11-27-28(19-23)32(4,5)14-13-31(27,2)3/h7-12,17-19H,13-16,20H2,1-6H3,(H,33,34)
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Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457558
PNG
(CHEMBL4203950)
Show SMILES COCCOCOc1ccc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1Cl)C(O)=O
Show InChI InChI=1S/C31H35ClO5/c1-30(2)12-13-31(3,4)26-17-21(7-10-25(26)30)24-16-20(8-11-28(24)37-19-36-15-14-35-5)23-9-6-22(29(33)34)18-27(23)32/h6-11,16-18H,12-15,19H2,1-5H3,(H,33,34)
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Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457559
PNG
(CHEMBL4212684)
Show SMILES COCCOCOc1ccc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C30H35NO5/c1-29(2)12-13-30(3,4)25-17-20(6-9-24(25)29)23-16-21(26-10-7-22(18-31-26)28(32)33)8-11-27(23)36-19-35-15-14-34-5/h6-11,16-18H,12-15,19H2,1-5H3,(H,32,33)
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n/an/an/an/a 85n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457549
PNG
(CHEMBL3960035)
Show SMILES CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H39NO4/c1-6-32(7-2)28-16-14-25(21-27(28)31(3,4)5)26-20-24(15-17-29(26)36-19-9-8-18-33)22-10-12-23(13-11-22)30(34)35/h10-17,20-21,33H,6-9,18-19H2,1-5H3,(H,34,35)
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n/an/an/an/a 4.70n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457560
PNG
(CHEMBL3939687)
Show SMILES CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H37NO4/c1-6-31(7-2)27-15-13-24(20-26(27)30(3,4)5)25-19-23(14-16-28(25)35-18-8-17-32)21-9-11-22(12-10-21)29(33)34/h9-16,19-20,32H,6-8,17-18H2,1-5H3,(H,33,34)
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n/an/an/an/a 1.90n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457561
PNG
(CHEMBL3916016)
Show SMILES CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H35NO4/c1-30(2,3)26-20-24(11-13-27(26)31-15-4-5-16-31)25-19-23(12-14-28(25)35-18-6-17-32)21-7-9-22(10-8-21)29(33)34/h7-14,19-20,32H,4-6,15-18H2,1-3H3,(H,33,34)
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n/an/an/an/a 2.10n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457544
PNG
(CHEMBL3936922)
Show SMILES CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H35NO4/c1-6-30(7-2)26-14-12-23(19-25(26)29(3,4)5)24-18-22(13-15-27(24)34-17-16-31)20-8-10-21(11-9-20)28(32)33/h8-15,18-19,31H,6-7,16-17H2,1-5H3,(H,32,33)
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n/an/an/an/a 3.60n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50457550
PNG
(CHEMBL4207978)
Show SMILES CC(C)(C)c1cc(ccc1NCCCCO)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H35NO5/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-31)24-18-22(11-13-27(24)35-17-16-32)20-6-8-21(9-7-20)28(33)34/h6-13,18-19,30-32H,4-5,14-17H2,1-3H3,(H,33,34)
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n/an/an/an/a 67n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARgamma (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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n/an/an/an/a 22n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM393289
PNG
(US9963439, BMS961)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(O)C(=O)Nc1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50048291
PNG
(6-(3-Adamantan-1-yl-4-hydroxy-phenyl)-naphthalene-...)
Show SMILES OC(=O)c1ccc2cc(ccc2c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C27H26O3/c28-25-6-5-22(20-1-2-21-11-23(26(29)30)4-3-19(21)10-20)12-24(25)27-13-16-7-17(14-27)9-18(8-16)15-27/h1-6,10-12,16-18,28H,7-9,13-15H2,(H,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457562
PNG
(CHEMBL4203742)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H28O3/c1-26(2)13-14-27(3,4)23-16-20(9-11-22(23)26)21-15-19(10-12-24(21)28)17-5-7-18(8-6-17)25(29)30/h5-12,15-16,28H,13-14H2,1-4H3,(H,29,30)
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n/an/an/an/a 59n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457563
PNG
(CHEMBL4205733)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H36O4/c1-30(2)15-16-31(3,4)27-20-24(11-13-26(27)30)25-19-23(12-14-28(25)35-18-6-5-17-32)21-7-9-22(10-8-21)29(33)34/h7-14,19-20,32H,5-6,15-18H2,1-4H3,(H,33,34)
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n/an/an/an/a 40n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457564
PNG
(CHEMBL4215021)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCNC1CC1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H39NO3/c1-32(2)16-17-33(3,4)29-21-25(10-14-28(29)32)27-20-24(22-6-8-23(9-7-22)31(35)36)11-15-30(27)37-19-5-18-34-26-12-13-26/h6-11,14-15,20-21,26,34H,5,12-13,16-19H2,1-4H3,(H,35,36)
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Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457553
PNG
(CHEMBL4210099)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1CO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H30O3/c1-27(2)13-14-28(3,4)25-16-21(11-12-24(25)27)23-15-20(9-10-22(23)17-29)18-5-7-19(8-6-18)26(30)31/h5-12,15-16,29H,13-14,17H2,1-4H3,(H,30,31)
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n/an/an/an/a 336n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457549
PNG
(CHEMBL3960035)
Show SMILES CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H39NO4/c1-6-32(7-2)28-16-14-25(21-27(28)31(3,4)5)26-20-24(15-17-29(26)36-19-9-8-18-33)22-10-12-23(13-11-22)30(34)35/h10-17,20-21,33H,6-9,18-19H2,1-5H3,(H,34,35)
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Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457560
PNG
(CHEMBL3939687)
Show SMILES CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H37NO4/c1-6-31(7-2)27-15-13-24(20-26(27)30(3,4)5)25-19-23(14-16-28(25)35-18-8-17-32)21-9-11-22(12-10-21)29(33)34/h9-16,19-20,32H,6-8,17-18H2,1-5H3,(H,33,34)
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n/an/an/an/a 180n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457545
PNG
(CHEMBL4210286)
Show SMILES CCN(CC)c1ccc(cc1)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H29NO4/c1-3-27(4-2)23-13-10-20(11-14-23)24-18-22(12-15-25(24)31-17-5-16-28)19-6-8-21(9-7-19)26(29)30/h6-15,18,28H,3-5,16-17H2,1-2H3,(H,29,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457544
PNG
(CHEMBL3936922)
Show SMILES CCN(CC)c1ccc(cc1C(C)(C)C)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H35NO4/c1-6-30(7-2)26-14-12-23(19-25(26)29(3,4)5)24-18-22(13-15-27(24)34-17-16-31)20-8-10-21(11-9-20)28(32)33/h8-15,18-19,31H,6-7,16-17H2,1-5H3,(H,32,33)
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n/an/an/an/a 1.01E+3n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457565
PNG
(CHEMBL3910072)
Show SMILES CC(C)(C)c1cc(ccc1N1CCCC1=O)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H31NO5/c1-29(2,3)24-18-22(10-12-25(24)30-14-4-5-27(30)32)23-17-21(11-13-26(23)35-16-15-31)19-6-8-20(9-7-19)28(33)34/h6-13,17-18,31H,4-5,14-16H2,1-3H3,(H,33,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50457566
PNG
(CHEMBL4211171)
Show SMILES CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCC(O)=O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H31NO5/c1-29(2,3)24-17-22(10-12-25(24)30-14-4-5-15-30)23-16-21(11-13-26(23)35-18-27(31)32)19-6-8-20(9-7-19)28(33)34/h6-13,16-17H,4-5,14-15,18H2,1-3H3,(H,31,32)(H,33,34)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARalpha (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hr...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50048280
PNG
(6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic ac...)
Show SMILES COc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc2cc(ccc2c1)C(O)=O
Show InChI InChI=1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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n/an/an/an/a 2n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457542
PNG
(CHEMBL4212472)
Show SMILES CC1(C)CCSc2ccc(cc12)C#Cc1cccc(n1)C(O)=O
Show InChI InChI=1S/C19H17NO2S/c1-19(2)10-11-23-17-9-7-13(12-15(17)19)6-8-14-4-3-5-16(20-14)18(21)22/h3-5,7,9,12H,10-11H2,1-2H3,(H,21,22)
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n/an/an/an/a 2.5n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457562
PNG
(CHEMBL4203742)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1O)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H28O3/c1-26(2)13-14-27(3,4)23-16-20(9-11-22(23)26)21-15-19(10-12-24(21)28)17-5-7-18(8-6-17)25(29)30/h5-12,15-16,28H,13-14H2,1-4H3,(H,29,30)
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n/an/an/an/a 8.60n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457551
PNG
(CHEMBL4217953)
Show SMILES COCCOCOc1ccc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H36O5/c1-30(2)14-15-31(3,4)27-19-24(10-12-26(27)30)25-18-23(21-6-8-22(9-7-21)29(32)33)11-13-28(25)36-20-35-17-16-34-5/h6-13,18-19H,14-17,20H2,1-5H3,(H,32,33)
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n/an/an/an/a 40n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457563
PNG
(CHEMBL4205733)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H36O4/c1-30(2)15-16-31(3,4)27-20-24(11-13-26(27)30)25-19-23(12-14-28(25)35-18-6-5-17-32)21-7-9-22(10-8-21)29(33)34/h7-14,19-20,32H,5-6,15-18H2,1-4H3,(H,33,34)
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n/an/an/an/a 6.80n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457564
PNG
(CHEMBL4215021)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCNC1CC1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C33H39NO3/c1-32(2)16-17-33(3,4)29-21-25(10-14-28(29)32)27-20-24(22-6-8-23(9-7-22)31(35)36)11-15-30(27)37-19-5-18-34-26-12-13-26/h6-11,14-15,20-21,26,34H,5,12-13,16-19H2,1-4H3,(H,35,36)
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n/an/an/an/a 13n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457554
PNG
(CHEMBL4202830)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1CCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H32O3/c1-28(2)14-15-29(3,4)26-18-23(11-12-25(26)28)24-17-22(10-7-20(24)13-16-30)19-5-8-21(9-6-19)27(31)32/h5-12,17-18,30H,13-16H2,1-4H3,(H,31,32)
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n/an/an/an/a 40n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457561
PNG
(CHEMBL3916016)
Show SMILES CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H35NO4/c1-30(2,3)26-20-24(11-13-27(26)31-15-4-5-16-31)25-19-23(12-14-28(25)35-18-6-17-32)21-7-9-22(10-8-21)29(33)34/h7-14,19-20,32H,4-6,15-18H2,1-3H3,(H,33,34)
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n/an/an/an/a 60n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457567
PNG
(CHEMBL3891815)
Show SMILES CCN(CC)c1ccc(cc1CC)-c1cc(ccc1OCCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H33NO4/c1-4-20-18-24(12-14-26(20)29(5-2)6-3)25-19-23(13-15-27(25)33-17-7-16-30)21-8-10-22(11-9-21)28(31)32/h8-15,18-19,30H,4-7,16-17H2,1-3H3,(H,31,32)
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n/an/an/an/a 35n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50457548
PNG
(CD-5789 | TRIFAROTENE | Trifarotene)
Show SMILES CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)
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n/an/an/an/a 125n/an/an/an/a



Nestle Skin Health

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain-tagged RARbeta (unknown origin) ligand-binding domain expressed in human HG5LN cells incubated for 18 hrs...


Bioorg Med Chem Lett 28: 1736-1741 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.036
BindingDB Entry DOI: 10.7270/Q2N300JQ
More data for this
Ligand-Target Pair
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