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8 similar compounds to monomer 50061615

Compile data set for download or QSAR
Wt: 438.5
BDBM50061616
Purchase
Wt: 438.5
BDBM50061624
Purchase
Wt: 480.5
BDBM50218452
Wt: 477.5
BDBM50218433
Wt: 463.5
BDBM50218436
Wt: 498.5
BDBM50218440
Wt: 494.6
BDBM50218442
Wt: 467.6
BDBM50218473

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50061616,50061624,50218452,50218433,50218436,50218440,50218442,50218473   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoid receptor


(Homo sapiens (Human))
BDBM50061616
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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PubMed
220n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061624
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-20(16-21(22)28)26(18-10-12-19(13-11-18)27(32)33)30-23-8-6-7-9-24(23)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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640n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoid X receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50061624
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-20(16-21(22)28)26(18-10-12-19(13-11-18)27(32)33)30-23-8-6-7-9-24(23)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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680n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoic acid receptor-beta


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061624
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-20(16-21(22)28)26(18-10-12-19(13-11-18)27(32)33)30-23-8-6-7-9-24(23)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoid X receptor-gamma


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061616
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccccc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-23(16-21(22)28)30-26(18-10-12-19(13-11-18)27(32)33)20-8-6-7-9-24(20)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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PubMed
1.40E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards retinoic acid receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50061624
PNG
(4-(5,7,7,10,10-Pentamethyl-7,8,9,10-tetrahydro-5H-...)
Show SMILES CN1c2ccccc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-20(16-21(22)28)26(18-10-12-19(13-11-18)27(32)33)30-23-8-6-7-9-24(23)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
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PubMed
1.90E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Synergistic activity of the compound towards retinoid X receptor-alpha


J Med Chem 40: 4222-34 (1998)


Article DOI: 10.1021/jm9704309
BindingDB Entry DOI: 10.7270/Q21J98VC
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218442
PNG
(4-(2-acetyl-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C(C)=O
Show InChI InChI=1S/C32H34N2O3/c1-7-34-27-13-12-22(19(2)35)16-26(27)33-29(20-8-10-21(11-9-20)30(36)37)23-17-24-25(18-28(23)34)32(5,6)15-14-31(24,3)4/h8-13,16-18H,7,14-15H2,1-6H3,(H,36,37)
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PubMed
n/an/a 970n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218452
PNG
(4-(2-acetyl-5,7,7,10,10-pentamethyl-7,8,9,10-tetra...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C(C)=O
Show InChI InChI=1S/C31H32N2O3/c1-18(34)21-11-12-26-25(15-21)32-28(19-7-9-20(10-8-19)29(35)36)22-16-23-24(17-27(22)33(26)6)31(4,5)14-13-30(23,2)3/h7-12,15-17H,13-14H2,1-6H3,(H,35,36)
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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218440
PNG
(4-(2-acetyl-5,7,7,10,10-pentamethyl-7,8,9,10-tetra...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(C(O)=O)c(F)c2)c2cc3c(cc12)C(C)(C)CCC3(C)C)C(C)=O
Show InChI InChI=1S/C31H31FN2O3/c1-17(35)18-8-10-26-25(14-18)33-28(19-7-9-20(29(36)37)24(32)13-19)21-15-22-23(16-27(21)34(26)6)31(4,5)12-11-30(22,2)3/h7-10,13-16H,11-12H2,1-6H3,(H,36,37)
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PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218452
PNG
(4-(2-acetyl-5,7,7,10,10-pentamethyl-7,8,9,10-tetra...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C(C)=O
Show InChI InChI=1S/C31H32N2O3/c1-18(34)21-11-12-26-25(15-21)32-28(19-7-9-20(10-8-19)29(35)36)22-16-23-24(17-27(22)33(26)6)31(4,5)14-13-30(23,2)3/h7-12,15-17H,13-14H2,1-6H3,(H,35,36)
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PubMed
n/an/a 890n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218473
PNG
(4-(5,7,7,10,10-pentamethyl-2-methylamino-7,8,9,10-...)
Show SMILES CNc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C30H33N3O2/c1-29(2)13-14-30(3,4)23-17-26-21(16-22(23)29)27(18-7-9-19(10-8-18)28(34)35)32-24-15-20(31-5)11-12-25(24)33(26)6/h7-12,15-17,31H,13-14H2,1-6H3,(H,34,35)
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PubMed
n/an/a>1.00E+5n/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))
BDBM50218436
PNG
(4-(2-cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrah...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N
Show InChI InChI=1S/C30H29N3O2/c1-29(2)12-13-30(3,4)23-16-26-21(15-22(23)29)27(19-7-9-20(10-8-19)28(34)35)32-24-14-18(17-31)6-11-25(24)33(26)5/h6-11,14-16H,12-13H2,1-5H3,(H,34,35)
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PubMed
n/an/a 430n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218442
PNG
(4-(2-acetyl-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C(C)=O
Show InChI InChI=1S/C32H34N2O3/c1-7-34-27-13-12-22(19(2)35)16-26(27)33-29(20-8-10-21(11-9-20)30(36)37)23-17-24-25(18-28(23)34)32(5,6)15-14-31(24,3)4/h8-13,16-18H,7,14-15H2,1-6H3,(H,36,37)
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PubMed
n/an/a 790n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218433
PNG
(4-(2-cyano-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10-...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N
Show InChI InChI=1S/C31H31N3O2/c1-6-34-26-12-7-19(18-32)15-25(26)33-28(20-8-10-21(11-9-20)29(35)36)22-16-23-24(17-27(22)34)31(4,5)14-13-30(23,2)3/h7-12,15-17H,6,13-14H2,1-5H3,(H,35,36)
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n/an/a 320n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218473
PNG
(4-(5,7,7,10,10-pentamethyl-2-methylamino-7,8,9,10-...)
Show SMILES CNc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C30H33N3O2/c1-29(2)13-14-30(3,4)23-17-26-21(16-22(23)29)27(18-7-9-19(10-8-18)28(34)35)32-24-15-20(31-5)11-12-25(24)33(26)6/h7-12,15-17,31H,13-14H2,1-6H3,(H,34,35)
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n/an/a>1.00E+4n/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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218436
PNG
(4-(2-cyano-5,7,7,10,10-pentamethyl-7,8,9,10-tetrah...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N
Show InChI InChI=1S/C30H29N3O2/c1-29(2)12-13-30(3,4)23-16-26-21(15-22(23)29)27(19-7-9-20(10-8-19)28(34)35)32-24-14-18(17-31)6-11-25(24)33(26)5/h6-11,14-16H,12-13H2,1-5H3,(H,34,35)
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PubMed
n/an/a 820n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218433
PNG
(4-(2-cyano-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10-...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N
Show InChI InChI=1S/C31H31N3O2/c1-6-34-26-12-7-19(18-32)15-25(26)33-28(20-8-10-21(11-9-20)29(35)36)22-16-23-24(17-27(22)34)31(4,5)14-13-30(23,2)3/h7-12,15-17H,6,13-14H2,1-5H3,(H,35,36)
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n/an/a 480n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218440
PNG
(4-(2-acetyl-5,7,7,10,10-pentamethyl-7,8,9,10-tetra...)
Show SMILES CN1c2ccc(cc2N=C(c2ccc(C(O)=O)c(F)c2)c2cc3c(cc12)C(C)(C)CCC3(C)C)C(C)=O
Show InChI InChI=1S/C31H31FN2O3/c1-17(35)18-8-10-26-25(14-18)33-28(19-7-9-20(29(36)37)24(32)13-19)21-15-22-23(16-27(21)34(26)6)31(4,5)12-11-30(22,2)3/h7-10,13-16H,11-12H2,1-6H3,(H,36,37)
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Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair