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Compile Data Set for Download or QSAR

Found 1207 hits with Last Name = 'nadzan' and Initial = 'am'   
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
CCKBR


(GUINEA PIG)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM36717
PNG
(1,25(OH)2D3)
Show SMILES CC(CCCC(C)(C)O)C1CCC2CC(CCC12C)\C=C\C=C1\C[C@@H](C)C[C@H](C)C1=C
Show InChI InChI=1S/C30H50O/c1-21-18-23(3)24(4)26(19-21)12-8-11-25-15-17-30(7)27(20-25)13-14-28(30)22(2)10-9-16-29(5,6)31/h8,11-12,21-23,25,27-28,31H,4,9-10,13-20H2,1-3,5-7H3/b11-8+,26-12-/t21-,22?,23-,25?,27?,28?,30?/m0/s1
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0.5 -49.3n/an/an/an/an/a7.54



Ligand Pharmaceuticals, Inc



Assay Description
VDR in vitro ligand-binding assay using human VDR constructed into a yeast expression plasmid.


Chem Biol 6: 265-75 (1999)


Article DOI: 10.1016/S1074-5521(99)80072-6
BindingDB Entry DOI: 10.7270/Q2NC5ZJZ
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052033
PNG
((2E,4E,6E)-7-(3,5-Di-tert-butyl-phenyl)-3-methyl-o...)
Show SMILES C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+
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0.700n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to Retinoic acid receptor RAR beta


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052033
PNG
((2E,4E,6E)-7-(3,5-Di-tert-butyl-phenyl)-3-methyl-o...)
Show SMILES C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+
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1.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to Retinoic acid receptor RAR gamma


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052033
PNG
((2E,4E,6E)-7-(3,5-Di-tert-butyl-phenyl)-3-methyl-o...)
Show SMILES C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+
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1.90n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-ATRA binding to Retinoic acid receptor RAR gamma


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50052588
PNG
((2E,4E,6Z)-7-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,...)
Show SMILES COc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H32O3/c1-16(13-22(25)26)9-8-10-17(2)18-14-19-20(15-21(18)27-7)24(5,6)12-11-23(19,3)4/h8-10,13-15H,11-12H2,1-7H3,(H,25,26)/b9-8+,16-13+,17-10-
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2n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR beta


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052588
PNG
((2E,4E,6Z)-7-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,...)
Show SMILES COc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H32O3/c1-16(13-22(25)26)9-8-10-17(2)18-14-19-20(15-21(18)27-7)24(5,6)12-11-23(19,3)4/h8-10,13-15H,11-12H2,1-7H3,(H,25,26)/b9-8+,16-13+,17-10-
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2n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR alpha


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290187
PNG
((2E,4E)-3-Methyl-5-[(1R,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20+/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290192
PNG
(3-Methyl-5-[5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES C\C(\C=C\[C@]12CC1(CCC2)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-18(15-22(27)28)9-12-25-10-6-11-26(25,17-25)19-7-8-20-21(16-19)24(4,5)14-13-23(20,2)3/h7-9,12,15-16H,6,10-11,13-14,17H2,1-5H3,(H,27,28)/b12-9+,18-15+/t25-,26?/m1/s1
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290659
PNG
((2E,4E)-3-Methyl-5-[1-(5,5,8,8-tetramethyl-5,6,7,8...)
Show SMILES C\C(\C=C\C1(CC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H30O2/c1-16(14-20(24)25)8-9-23(12-13-23)17-6-7-18-19(15-17)22(4,5)11-10-21(18,2)3/h6-9,14-15H,10-13H2,1-5H3,(H,24,25)/b9-8+,16-14+
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3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 7: 2747-2752 (1997)


Article DOI: 10.1016/S0960-894X(97)10079-8
BindingDB Entry DOI: 10.7270/Q2JW8DW6
More data for this
Ligand-Target Pair
CCKBR


(GUINEA PIG)
BDBM50002515
PNG
((A-71623)3-[2-[2-tert-Butoxycarbonylamino-3-(1H-in...)
Show SMILES CN(C(Cc1ccccc1)C(N)=O)C(=O)C(CC(O)=O)NC(=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C44H56N8O9/c1-27-15-9-11-19-31(27)50-42(59)46-22-14-13-21-33(39(56)49-35(25-37(53)54)41(58)52(5)36(38(45)55)23-28-16-7-6-8-17-28)48-40(57)34(51-43(60)61-44(2,3)4)24-29-26-47-32-20-12-10-18-30(29)32/h6-12,15-20,26,33-36,47H,13-14,21-25H2,1-5H3,(H2,45,55)(H,48,57)(H,49,56)(H,51,60)(H,53,54)(H2,46,50,59)/t33-,34?,35?,36?/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052590
PNG
((2E,4E,6Z)-7-(3-Ethoxy-5,5,8,8-tetramethyl-5,6,7,8...)
Show SMILES CCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H34O3/c1-8-28-22-16-21-20(24(4,5)12-13-25(21,6)7)15-19(22)18(3)11-9-10-17(2)14-23(26)27/h9-11,14-16H,8,12-13H2,1-7H3,(H,26,27)/b10-9+,17-14+,18-11-
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4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR alpha


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50052588
PNG
((2E,4E,6Z)-7-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,...)
Show SMILES COc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H32O3/c1-16(13-22(25)26)9-8-10-17(2)18-14-19-20(15-21(18)27-7)24(5,6)12-11-23(19,3)4/h8-10,13-15H,11-12H2,1-7H3,(H,25,26)/b9-8+,16-13+,17-10-
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4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR gamma


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290186
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26-/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290188
PNG
((2E,4E)-3-Methyl-5-[(1S,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26+/m1/s1
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290660
PNG
((2E,4E)-3-Methyl-5-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\C1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-24(11-12-24)18-15-20-19(14-17(18)2)22(3,4)9-10-23(20,5)6/h7-8,13-15H,9-12H2,1-6H3,(H,25,26)/b8-7+,16-13+
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to RXR alpha receptor


Bioorg Med Chem Lett 7: 2747-2752 (1997)


Article DOI: 10.1016/S0960-894X(97)10079-8
BindingDB Entry DOI: 10.7270/Q2JW8DW6
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290660
PNG
((2E,4E)-3-Methyl-5-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\C1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-24(11-12-24)18-15-20-19(14-17(18)2)22(3,4)9-10-23(20,5)6/h7-8,13-15H,9-12H2,1-6H3,(H,25,26)/b8-7+,16-13+
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to RXR beta receptor


Bioorg Med Chem Lett 7: 2747-2752 (1997)


Article DOI: 10.1016/S0960-894X(97)10079-8
BindingDB Entry DOI: 10.7270/Q2JW8DW6
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052033
PNG
((2E,4E,6E)-7-(3,5-Di-tert-butyl-phenyl)-3-methyl-o...)
Show SMILES C\C(\C=C\C=C(/C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H32O2/c1-16(12-21(24)25)10-9-11-17(2)18-13-19(22(3,4)5)15-20(14-18)23(6,7)8/h9-15H,1-8H3,(H,24,25)/b10-9+,16-12+,17-11+
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4.60n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
CCKBR


(GUINEA PIG)
BDBM81870
PNG
(A-70874 | CAS_6439313 | NSC_6439313)
Show SMILES CNC(Cc1ccccc1)C(=O)N(C(=O)C(CC(O)=O)NC(=O)C(N)CCCCNC(=O)C=Cc1ccc(O)cc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C45H55N7O10/c1-45(2,3)62-44(61)51-36(25-30-27-49-34-16-9-8-14-32(30)34)42(59)52(41(58)35(47-4)24-29-12-6-5-7-13-29)43(60)37(26-39(55)56)50-40(57)33(46)15-10-11-23-48-38(54)22-19-28-17-20-31(53)21-18-28/h5-9,12-14,16-22,27,33,35-37,47,49,53H,10-11,15,23-26,46H2,1-4H3,(H,48,54)(H,50,57)(H,51,61)(H,55,56)/b22-19+
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4.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50074300
PNG
(4-[[(E)-Hydroxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES Cc1cc2c(cc1C(N=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24-27)15-6-8-16(9-7-15)21(25)26/h6-9,12-13,20H,10-11H2,1-5H3,(H,25,26)
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5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitiv...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50290660
PNG
((2E,4E)-3-Methyl-5-[1-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES C\C(\C=C\C1(CC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-24(11-12-24)18-15-20-19(14-17(18)2)22(3,4)9-10-23(20,5)6/h7-8,13-15H,9-12H2,1-6H3,(H,25,26)/b8-7+,16-13+
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma


Bioorg Med Chem Lett 7: 2747-2752 (1997)


Article DOI: 10.1016/S0960-894X(97)10079-8
BindingDB Entry DOI: 10.7270/Q2JW8DW6
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50290192
PNG
(3-Methyl-5-[5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES C\C(\C=C\[C@]12CC1(CCC2)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-18(15-22(27)28)9-12-25-10-6-11-26(25,17-25)19-7-8-20-21(16-19)24(4,5)14-13-23(20,2)3/h7-9,12,15-16H,6,10-11,13-14,17H2,1-5H3,(H,27,28)/b12-9+,18-15+/t25-,26?/m1/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50290187
PNG
((2E,4E)-3-Methyl-5-[(1R,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20+/m1/s1
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing retinoic acid receptor RAR gamma


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50290193
PNG
(3-Methyl-5-[2-(3,5,5,8,8-pentamethyl-5,6,7,8-tetra...)
Show SMILES C\C(\C=C\C1=C(CCC1)c1cc2c(cc1C)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-17(14-24(27)28)10-11-19-8-7-9-20(19)21-16-23-22(15-18(21)2)25(3,4)12-13-26(23,5)6/h10-11,14-16H,7-9,12-13H2,1-6H3,(H,27,28)/b11-10+,17-14+
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50074300
PNG
(4-[[(E)-Hydroxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES Cc1cc2c(cc1C(N=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24-27)15-6-8-16(9-7-15)21(25)26/h6-9,12-13,20H,10-11H2,1-5H3,(H,25,26)
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5n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50074304
PNG
(4-{(3-Bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro...)
Show SMILES CC1(C)CCC(C)(C)c2cc(C(N=O)c3ccc(cc3)C(O)=O)c(Br)cc12
Show InChI InChI=1S/C22H24BrNO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24-27)13-5-7-14(8-6-13)20(25)26/h5-8,11-12,19H,9-10H2,1-4H3,(H,25,26)
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6n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitiv...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074300
PNG
(4-[[(E)-Hydroxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES Cc1cc2c(cc1C(N=O)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C23H27NO3/c1-14-12-18-19(23(4,5)11-10-22(18,2)3)13-17(14)20(24-27)15-6-8-16(9-7-15)21(25)26/h6-9,12-13,20H,10-11H2,1-5H3,(H,25,26)
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6n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290187
PNG
((2E,4E)-3-Methyl-5-[(1R,2S)-2-(5,5,8,8-tetramethyl...)
Show SMILES C\C(\C=C\[C@H]1CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34O2/c1-17(15-23(26)27)9-10-18-7-6-8-20(18)19-11-12-21-22(16-19)25(4,5)14-13-24(21,2)3/h9-12,15-16,18,20H,6-8,13-14H2,1-5H3,(H,26,27)/b10-9+,17-15+/t18-,20+/m1/s1
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50290659
PNG
((2E,4E)-3-Methyl-5-[1-(5,5,8,8-tetramethyl-5,6,7,8...)
Show SMILES C\C(\C=C\C1(CC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H30O2/c1-16(14-20(24)25)8-9-23(12-13-23)17-6-7-18-19(15-17)22(4,5)11-10-21(18,2)3/h6-9,14-15H,10-13H2,1-5H3,(H,24,25)/b9-8+,16-14+
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to RXR gamma receptor


Bioorg Med Chem Lett 7: 2747-2752 (1997)


Article DOI: 10.1016/S0960-894X(97)10079-8
BindingDB Entry DOI: 10.7270/Q2JW8DW6
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074307
PNG
(4-{(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-napht...)
Show SMILES CCCO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H33NO3/c1-7-14-30-27-23(18-8-10-19(11-9-18)24(28)29)20-16-22-21(15-17(20)2)25(3,4)12-13-26(22,5)6/h8-11,15-16H,7,12-14H2,1-6H3,(H,28,29)/b27-23+
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6n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50290188
PNG
((2E,4E)-3-Methyl-5-[(1S,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26+/m1/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR gamma


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50290659
PNG
((2E,4E)-3-Methyl-5-[1-(5,5,8,8-tetramethyl-5,6,7,8...)
Show SMILES C\C(\C=C\C1(CC1)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C23H30O2/c1-16(14-20(24)25)8-9-23(12-13-23)17-6-7-18-19(15-17)22(4,5)11-10-21(18,2)3/h6-9,14-15H,10-13H2,1-5H3,(H,24,25)/b9-8+,16-14+
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to RXR alpha receptor


Bioorg Med Chem Lett 7: 2747-2752 (1997)


Article DOI: 10.1016/S0960-894X(97)10079-8
BindingDB Entry DOI: 10.7270/Q2JW8DW6
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074306
PNG
(4-[[(E)-Allyloxyimino]-(3,5,5,8,8-pentamethyl-5,6,...)
Show SMILES Cc1cc2c(cc1\C(=N\OCC=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H31NO3/c1-7-14-30-27-23(18-8-10-19(11-9-18)24(28)29)20-16-22-21(15-17(20)2)25(3,4)12-13-26(22,5)6/h7-11,15-16H,1,12-14H2,2-6H3,(H,28,29)/b27-23+
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7n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor gamma


(Mus musculus)
BDBM50290186
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26-/m1/s1
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid receptor


(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
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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7.40n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR beta


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50074295
PNG
(4-[[(E)-Methoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES CO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25-28-6)16-7-9-17(10-8-16)22(26)27/h7-10,13-14H,11-12H2,1-6H3,(H,26,27)/b25-21+
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-beta in baculoviral sysytem, by using 5 nM [3H]-targretin in a competitiv...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50074295
PNG
(4-[[(E)-Methoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES CO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25-28-6)16-7-9-17(10-8-16)22(26)27/h7-10,13-14H,11-12H2,1-6H3,(H,26,27)/b25-21+
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-gamma in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
CCKBR


(GUINEA PIG)
BDBM21147
PNG
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Mol Pharmacol 39: 346-51 (1991)


BindingDB Entry DOI: 10.7270/Q2222S8S
More data for this
Ligand-Target Pair
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
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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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR alpha


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50052589
PNG
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)
Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11-
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR alpha


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50179116
PNG
((2E,4E)-6-((6-tert-butyl-1,1-dimethyl-2,3-dihydro-...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
Show InChI InChI=1S/C25H37NO2/c1-8-13-26(14-9-10-18(2)15-23(27)28)22-17-19(24(3,4)5)16-21-20(22)11-12-25(21,6)7/h9-10,15-17H,8,11-14H2,1-7H3,(H,27,28)/b10-9+,18-15+
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8n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to RXRalpha


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
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
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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8.40n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha


J Med Chem 39: 2659-63 (1996)


Article DOI: 10.1021/jm960285j
BindingDB Entry DOI: 10.7270/Q2988631
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074295
PNG
(4-[[(E)-Methoxyimino]-(3,5,5,8,8-pentamethyl-5,6,7...)
Show SMILES CO\N=C(/c1ccc(cc1)C(O)=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25-28-6)16-7-9-17(10-8-16)22(26)27/h7-10,13-14H,11-12H2,1-6H3,(H,26,27)/b25-21+
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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
Retinoid receptor


(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
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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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR beta


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid receptor


(Homo sapiens (Human))
BDBM50052589
PNG
((2E,4E,6Z)-3-Methyl-7-(5,5,8,8-tetramethyl-3-propo...)
Show SMILES CCCOc1cc2c(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C26H36O3/c1-8-14-29-23-17-22-21(25(4,5)12-13-26(22,6)7)16-20(23)19(3)11-9-10-18(2)15-24(27)28/h9-11,15-17H,8,12-14H2,1-7H3,(H,27,28)/b10-9+,18-15+,19-11-
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9n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR beta


J Med Chem 39: 3229-34 (1996)


Article DOI: 10.1021/jm960311d
BindingDB Entry DOI: 10.7270/Q2ZW1K14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoid X receptor beta


(Mus musculus)
BDBM50290188
PNG
((2E,4E)-3-Methyl-5-[(1S,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26+/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing retinoic acid receptor RAR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50179116
PNG
((2E,4E)-6-((6-tert-butyl-1,1-dimethyl-2,3-dihydro-...)
Show SMILES CCCN(C\C=C\C(\C)=C\C(O)=O)c1cc(cc2c1CCC2(C)C)C(C)(C)C
Show InChI InChI=1S/C25H37NO2/c1-8-13-26(14-9-10-18(2)15-23(27)28)22-17-19(24(3,4)5)16-21-20(22)11-12-25(21,6)7/h9-10,15-17H,8,11-14H2,1-7H3,(H,27,28)/b10-9+,18-15+
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10n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to RXRgamma


Bioorg Med Chem Lett 16: 2352-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.003
BindingDB Entry DOI: 10.7270/Q2S75FW3
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290186
PNG
((2E,4E)-3-Methyl-5-[(1R,2R)-1-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@]1(C)CCC[C@@H]1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H36O2/c1-18(16-23(27)28)11-13-26(6)12-7-8-20(26)19-9-10-21-22(17-19)25(4,5)15-14-24(21,2)3/h9-11,13,16-17,20H,7-8,12,14-15H2,1-6H3,(H,27,28)/b13-11+,18-16+/t20-,26-/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR beta


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoid X receptor beta


(Mus musculus)
BDBM50290192
PNG
(3-Methyl-5-[5-(5,5,8,8-tetramethyl-5,6,7,8-tetrahy...)
Show SMILES C\C(\C=C\[C@]12CC1(CCC2)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C26H34O2/c1-18(15-22(27)28)9-12-25-10-6-11-26(25,17-25)19-7-8-20-21(16-19)24(4,5)14-13-23(20,2)3/h7-9,12,15-16H,6,10-11,13-14,17H2,1-5H3,(H,27,28)/b12-9+,18-15+/t25-,26?/m1/s1
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective potency in transcriptional activation assay in CV-1 cells expressing Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 7: 2393-2398 (1997)


Article DOI: 10.1016/S0960-894X(97)00437-X
BindingDB Entry DOI: 10.7270/Q2FB52XX
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50074297
PNG
(4-[[(E)-Cyanomethoxyimino]-(3,5,5,8,8-pentamethyl-...)
Show SMILES Cc1cc2c(cc1\C(=N\OCC#N)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H28N2O3/c1-16-14-20-21(25(4,5)11-10-24(20,2)3)15-19(16)22(27-30-13-12-26)17-6-8-18(9-7-17)23(28)29/h6-9,14-15H,10-11,13H2,1-5H3,(H,28,29)/b27-22+
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11n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Binding affinity towards recombinantly expressed Retinoic acid receptor RXR-alpha in baculoviral sysytem, by using 5 nM [3H]-targretin in a competiti...


J Med Chem 42: 742-50 (1999)


Article DOI: 10.1021/jm980621r
BindingDB Entry DOI: 10.7270/Q2K936Q1
More data for this
Ligand-Target Pair
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