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28 similar compounds to monomer 50061624

Compile data set for download or QSAR
Wt: 488.6
BDBM50061615
Wt: 438.5
BDBM50061616
Purchase
Wt: 523.6
BDBM50218479
Wt: 495.5
BDBM50218424
Wt: 557.6
BDBM50218488
Wt: 538.6
BDBM50218489
Wt: 523.6
BDBM50218493
Wt: 509.6
BDBM50218494
Wt: 531.6
BDBM50218497
Wt: 543.6
BDBM50218498
Wt: 480.5
BDBM50218452
Wt: 510.6
BDBM50218459
Wt: 509.6
BDBM50218460
Wt: 524.6
BDBM50218462
Wt: 571.7
BDBM50218463
Displayed 1 to 15 (of 28 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50061615,50061616,50218479,50218424,50218488,50218489,50218493,50218494,50218497,50218498,50218452,50218459,50218460,50218462,50218463   
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))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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490n/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-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 receptor


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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500n/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 X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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PubMed
1.30E+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
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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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
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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1.50E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic 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 receptor


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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1.70E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic 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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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PubMed
3.80E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
Antagonistic 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))
BDBM50218462
PNG
(4-[2-(3-ethyl-ureido)-5,7,7,10,10-pentamethyl-7,8,...)
Show SMILES CCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C32H36N4O3/c1-7-33-30(39)34-21-12-13-26-25(16-21)35-28(19-8-10-20(11-9-19)29(37)38)22-17-23-24(18-27(22)36(26)6)32(4,5)15-14-31(23,2)3/h8-13,16-18H,7,14-15H2,1-6H3,(H,37,38)(H2,33,34,39)
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PubMed
n/an/a 7.40E+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))
BDBM50218479
PNG
(4-(2-butyrylamino-5,7,7,10,10-pentamethyl-7,8,9,10...)
Show SMILES CCCC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C33H37N3O3/c1-7-8-29(37)34-22-13-14-27-26(17-22)35-30(20-9-11-21(12-10-20)31(38)39)23-18-24-25(19-28(23)36(27)6)33(4,5)16-15-32(24,2)3/h9-14,17-19H,7-8,15-16H2,1-6H3,(H,34,37)(H,38,39)
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PubMed
n/an/a 3.90E+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))
BDBM50218479
PNG
(4-(2-butyrylamino-5,7,7,10,10-pentamethyl-7,8,9,10...)
Show SMILES CCCC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C33H37N3O3/c1-7-8-29(37)34-22-13-14-27-26(17-22)35-30(20-9-11-21(12-10-20)31(38)39)23-18-24-25(19-28(23)36(27)6)33(4,5)16-15-32(24,2)3/h9-14,17-19H,7-8,15-16H2,1-6H3,(H,34,37)(H,38,39)
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PubMed
n/an/a 1.80E+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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218460
PNG
(4-(5,7,7,10,10-pentamethyl-2-propionylamino-7,8,9,...)
Show SMILES CCC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C32H35N3O3/c1-7-28(36)33-21-12-13-26-25(16-21)34-29(19-8-10-20(11-9-19)30(37)38)22-17-23-24(18-27(22)35(26)6)32(4,5)15-14-31(23,2)3/h8-13,16-18H,7,14-15H2,1-6H3,(H,33,36)(H,37,38)
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PubMed
n/an/a 2.20E+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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218462
PNG
(4-[2-(3-ethyl-ureido)-5,7,7,10,10-pentamethyl-7,8,...)
Show SMILES CCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C32H36N4O3/c1-7-33-30(39)34-21-12-13-26-25(16-21)35-28(19-8-10-20(11-9-19)29(37)38)22-17-23-24(18-27(22)36(26)6)32(4,5)15-14-31(23,2)3/h8-13,16-18H,7,14-15H2,1-6H3,(H,37,38)(H2,33,34,39)
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PubMed
n/an/a 7.30E+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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218489
PNG
(4-[5,7,7,10,10-pentamethyl-2-(3-propyl-ureido)-7,8...)
Show SMILES CCCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C33H38N4O3/c1-7-16-34-31(40)35-22-12-13-27-26(17-22)36-29(20-8-10-21(11-9-20)30(38)39)23-18-24-25(19-28(23)37(27)6)33(4,5)15-14-32(24,2)3/h8-13,17-19H,7,14-16H2,1-6H3,(H,38,39)(H2,34,35,40)
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PubMed
n/an/a 6.20E+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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218459
PNG
(4-{7,7,10,10-tetramethyl-2-[(E)-(3-phenyl-acryloyl...)
Show SMILES CNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C31H34N4O3/c1-30(2)13-14-31(3,4)23-17-26-21(16-22(23)30)27(18-7-9-19(10-8-18)28(36)37)34-24-15-20(33-29(38)32-5)11-12-25(24)35(26)6/h7-12,15-17H,13-14H2,1-6H3,(H,36,37)(H2,32,33,38)
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n/an/a 1.40E+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 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))
BDBM50218493
PNG
(4-(2-isobutyrylamino-5,7,7,10,10-pentamethyl-7,8,9...)
Show SMILES CC(C)C(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C33H37N3O3/c1-19(2)30(37)34-22-12-13-27-26(16-22)35-29(20-8-10-21(11-9-20)31(38)39)23-17-24-25(18-28(23)36(27)7)33(5,6)15-14-32(24,3)4/h8-13,16-19H,14-15H2,1-7H3,(H,34,37)(H,38,39)
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n/an/a 5.60E+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))
BDBM50218488
PNG
(4-(2-benzoylamino-5,7,7,10,10-pentamethyl-7,8,9,10...)
Show SMILES CN1c2ccc(NC(=O)c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C36H35N3O3/c1-35(2)17-18-36(3,4)28-21-31-26(20-27(28)35)32(22-11-13-24(14-12-22)34(41)42)38-29-19-25(15-16-30(29)39(31)5)37-33(40)23-9-7-6-8-10-23/h6-16,19-21H,17-18H2,1-5H3,(H,37,40)(H,41,42)
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n/an/a 2.00E+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))
BDBM50218497
PNG
(4-(2-methanesulfonylamino-5,7,7,10,10-pentamethyl-...)
Show SMILES CN1c2ccc(NS(C)(=O)=O)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C30H33N3O4S/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)31-24-15-20(32-38(6,36)37)11-12-25(24)33(26)5/h7-12,15-17,32H,13-14H2,1-6H3,(H,34,35)
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n/an/a 2.40E+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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218494
PNG
(4-(2-benzylamino-5,7,7,10,10-pentamethyl-7,8,9,10-...)
Show SMILES CCCCNc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C33H39N3O2/c1-7-8-17-34-23-13-14-28-27(18-23)35-30(21-9-11-22(12-10-21)31(37)38)24-19-25-26(20-29(24)36(28)6)33(4,5)16-15-32(25,2)3/h9-14,18-20,34H,7-8,15-17H2,1-6H3,(H,37,38)
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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))
BDBM50218494
PNG
(4-(2-benzylamino-5,7,7,10,10-pentamethyl-7,8,9,10-...)
Show SMILES CCCCNc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C33H39N3O2/c1-7-8-17-34-23-13-14-28-27(18-23)35-30(21-9-11-22(12-10-21)31(37)38)24-19-25-26(20-29(24)36(28)6)33(4,5)16-15-32(25,2)3/h9-14,18-20,34H,7-8,15-17H2,1-6H3,(H,37,38)
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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))
BDBM50218498
PNG
(4-(2-benzylamino-5,7,7,10,10-pentamethyl-7,8,9,10-...)
Show SMILES CN1c2ccc(NCc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C36H37N3O2/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(24-11-13-25(14-12-24)34(40)41)38-30-19-26(15-16-31(30)39(32)5)37-22-23-9-7-6-8-10-23/h6-16,19-21,37H,17-18,22H2,1-5H3,(H,40,41)
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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))
BDBM50218489
PNG
(4-[5,7,7,10,10-pentamethyl-2-(3-propyl-ureido)-7,8...)
Show SMILES CCCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C33H38N4O3/c1-7-16-34-31(40)35-22-12-13-27-26(17-22)36-29(20-8-10-21(11-9-20)30(38)39)23-18-24-25(19-28(23)37(27)6)33(4,5)15-14-32(24,2)3/h8-13,17-19H,7,14-16H2,1-6H3,(H,38,39)(H2,34,35,40)
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n/an/a 5.20E+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 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))
BDBM50218493
PNG
(4-(2-isobutyrylamino-5,7,7,10,10-pentamethyl-7,8,9...)
Show SMILES CC(C)C(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C33H37N3O3/c1-19(2)30(37)34-22-12-13-27-26(16-22)35-29(20-8-10-21(11-9-20)31(38)39)23-17-24-25(18-28(23)36(27)7)33(5,6)15-14-32(24,3)4/h8-13,16-19H,14-15H2,1-7H3,(H,34,37)(H,38,39)
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n/an/a 1.90E+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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218498
PNG
(4-(2-benzylamino-5,7,7,10,10-pentamethyl-7,8,9,10-...)
Show SMILES CN1c2ccc(NCc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C36H37N3O2/c1-35(2)17-18-36(3,4)29-21-32-27(20-28(29)35)33(24-11-13-25(14-12-24)34(40)41)38-30-19-26(15-16-31(30)39(32)5)37-22-23-9-7-6-8-10-23/h6-16,19-21,37H,17-18,22H2,1-5H3,(H,40,41)
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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))
BDBM50218497
PNG
(4-(2-methanesulfonylamino-5,7,7,10,10-pentamethyl-...)
Show SMILES CN1c2ccc(NS(C)(=O)=O)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C30H33N3O4S/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)31-24-15-20(32-38(6,36)37)11-12-25(24)33(26)5/h7-12,15-17,32H,13-14H2,1-6H3,(H,34,35)
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n/an/a 4.40E+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))
BDBM50218488
PNG
(4-(2-benzoylamino-5,7,7,10,10-pentamethyl-7,8,9,10...)
Show SMILES CN1c2ccc(NC(=O)c3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C36H35N3O3/c1-35(2)17-18-36(3,4)28-21-31-26(20-27(28)35)32(22-11-13-24(14-12-22)34(41)42)38-29-19-25(15-16-30(29)39(31)5)37-33(40)23-9-7-6-8-10-23/h6-16,19-21H,17-18H2,1-5H3,(H,37,40)(H,41,42)
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n/an/a 900n/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))
BDBM50218463
PNG
(4-(5,7,7,10,10-pentamethyl-2-phenylacetylamino-7,8...)
Show SMILES CN1c2ccc(NC(=O)Cc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C37H37N3O3/c1-36(2)17-18-37(3,4)29-22-32-27(21-28(29)36)34(24-11-13-25(14-12-24)35(42)43)39-30-20-26(15-16-31(30)40(32)5)38-33(41)19-23-9-7-6-8-10-23/h6-16,20-22H,17-19H2,1-5H3,(H,38,41)(H,42,43)
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n/an/a 970n/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))
BDBM50218460
PNG
(4-(5,7,7,10,10-pentamethyl-2-propionylamino-7,8,9,...)
Show SMILES CCC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C32H35N3O3/c1-7-28(36)33-21-12-13-26-25(16-21)34-29(19-8-10-20(11-9-19)30(37)38)22-17-23-24(18-27(22)35(26)6)32(4,5)15-14-31(23,2)3/h8-13,16-18H,7,14-15H2,1-6H3,(H,33,36)(H,37,38)
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n/an/a 7.10E+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))
BDBM50218459
PNG
(4-{7,7,10,10-tetramethyl-2-[(E)-(3-phenyl-acryloyl...)
Show SMILES CNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C
Show InChI InChI=1S/C31H34N4O3/c1-30(2)13-14-31(3,4)23-17-26-21(16-22(23)30)27(18-7-9-19(10-8-18)28(36)37)34-24-15-20(33-29(38)32-5)11-12-25(24)35(26)6/h7-12,15-17H,13-14H2,1-6H3,(H,36,37)(H2,32,33,38)
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n/an/a 1.50E+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))
BDBM50218424
PNG
(4-(2-cyano-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10-...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(C(O)=O)c(F)c2)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N
Show InChI InChI=1S/C31H30FN3O2/c1-6-35-26-10-7-18(17-33)13-25(26)34-28(19-8-9-20(29(36)37)24(32)14-19)21-15-22-23(16-27(21)35)31(4,5)12-11-30(22,2)3/h7-10,13-16H,6,11-12H2,1-5H3,(H,36,37)
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n/an/a 500n/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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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))
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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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))
BDBM50218424
PNG
(4-(2-cyano-5-ethyl-7,7,10,10-tetramethyl-7,8,9,10-...)
Show SMILES CCN1c2ccc(cc2N=C(c2ccc(C(O)=O)c(F)c2)c2cc3c(cc12)C(C)(C)CCC3(C)C)C#N
Show InChI InChI=1S/C31H30FN3O2/c1-6-35-26-10-7-18(17-33)13-25(26)34-28(19-8-9-20(29(36)37)24(32)14-19)21-15-22-23(16-27(21)35)31(4,5)12-11-30(22,2)3/h7-10,13-16H,6,11-12H2,1-5H3,(H,36,37)
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n/an/a 770n/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
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM50061615
PNG
(4-(10,10,13,13,15-Pentamethyl-11,12,13,15-tetrahyd...)
Show SMILES CN1c2cc3c(cc2N=C(c2ccc(cc2)C(O)=O)c2ccc4ccccc4c12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C33H32N2O2/c1-32(2)16-17-33(3,4)26-19-28-27(18-25(26)32)34-29(21-10-12-22(13-11-21)31(36)37)24-15-14-20-8-6-7-9-23(20)30(24)35(28)5/h6-15,18-19H,16-17H2,1-5H3,(H,36,37)
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n/an/an/an/a 4.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 coactivator peptide recruitment


J Med Chem 57: 5871-92 (2014)


Article DOI: 10.1021/jm401901d
BindingDB Entry DOI: 10.7270/Q2M0473Z
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218463
PNG
(4-(5,7,7,10,10-pentamethyl-2-phenylacetylamino-7,8...)
Show SMILES CN1c2ccc(NC(=O)Cc3ccccc3)cc2N=C(c2ccc(cc2)C(O)=O)c2cc3c(cc12)C(C)(C)CCC3(C)C
Show InChI InChI=1S/C37H37N3O3/c1-36(2)17-18-37(3,4)29-22-32-27(21-28(29)36)34(24-11-13-25(14-12-24)35(42)43)39-30-20-26(15-16-31(30)40(32)5)38-33(41)19-23-9-7-6-8-10-23/h6-16,20-22H,17-19H2,1-5H3,(H,38,41)(H,42,43)
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n/an/a 2.50E+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