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PubMed code 10201840

Compile data set for download or QSAR
Found 33 hits of Enzyme Inhibition Constant Data   
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))
BDBM50075879
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-1-thia-anthracen-6-yl...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O2S/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/a 0.5n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR gamma in transcriptional activation assay with 3.2 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50075879
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-1-thia-anthracen-6-yl...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O2S/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/a 1.5n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR gamma in transcriptional activation assay with 3.2 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50075879
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-1-thia-anthracen-6-yl...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O2S/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50075877
PNG
(4-[5,5-Dimethyl-8-(5-methyl-thiophen-2-yl)-5,6-dih...)
Show SMILES Cc1ccc(s1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2S/c1-17-4-11-26(31-17)23-12-13-28(2,3)25-16-21-10-9-20(14-22(21)15-24(23)25)18-5-7-19(8-6-18)27(29)30/h4-12,14-16H,13H2,1-3H3,(H,29,30)
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Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR alpha in transcriptional activation assay with 32 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50075880
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-anthracen-2-...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H26O2/c1-19-4-6-21(7-5-19)26-14-15-30(2,3)28-18-24-13-12-23(16-25(24)17-27(26)28)20-8-10-22(11-9-20)29(31)32/h4-14,16-18H,15H2,1-3H3,(H,31,32)
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Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor beta


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/a 2n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor beta


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/gamma


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR gamma in transcriptional activation assay with 3.2 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/a 5.5n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human RAR alpha


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR alpha in transcriptional activation assay with 32 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/a 7.5n/an/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50075877
PNG
(4-[5,5-Dimethyl-8-(5-methyl-thiophen-2-yl)-5,6-dih...)
Show SMILES Cc1ccc(s1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2S/c1-17-4-11-26(31-17)23-12-13-28(2,3)25-16-21-10-9-20(14-22(21)15-24(23)25)18-5-7-19(8-6-18)27(29)30/h4-12,14-16H,13H2,1-3H3,(H,29,30)
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Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR gamma in transcriptional activation assay with 3.2 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50075880
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-anthracen-2-...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H26O2/c1-19-4-6-21(7-5-19)26-14-15-30(2,3)28-18-24-13-12-23(16-25(24)17-27(26)28)20-8-10-22(11-9-20)29(31)32/h4-14,16-18H,15H2,1-3H3,(H,31,32)
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Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR alpha in transcriptional activation assay with 32 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50075877
PNG
(4-[5,5-Dimethyl-8-(5-methyl-thiophen-2-yl)-5,6-dih...)
Show SMILES Cc1ccc(s1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2S/c1-17-4-11-26(31-17)23-12-13-28(2,3)25-16-21-10-9-20(14-22(21)15-24(23)25)18-5-7-19(8-6-18)27(29)30/h4-12,14-16H,13H2,1-3H3,(H,29,30)
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Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50075880
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-anthracen-2-...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H26O2/c1-19-4-6-21(7-5-19)26-14-15-30(2,3)28-18-24-13-12-23(16-25(24)17-27(26)28)20-8-10-22(11-9-20)29(31)32/h4-14,16-18H,15H2,1-3H3,(H,31,32)
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Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR beta in transcriptional activation assay with 10 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/an/a 14n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human RAR alpha


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human RAR alpha


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075879
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-1-thia-anthracen-6-yl...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O2S/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/an/a 6n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor beta


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50075878
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-benzo[g]chromen-7-yl)...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O3/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/an/a 7n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR gamma in transcriptional activation assay with 3.2 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor alpha/Retinoid X receptor alpha


(Homo sapiens (Human))
BDBM50075880
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-anthracen-2-...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H26O2/c1-19-4-6-21(7-5-19)26-14-15-30(2,3)28-18-24-13-12-23(16-25(24)17-27(26)28)20-8-10-22(11-9-20)29(31)32/h4-14,16-18H,15H2,1-3H3,(H,31,32)
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n/an/an/a 13n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR alpha in transcriptional activation assay with 32 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50075881
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-1-th...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O2S2/c1-16-4-11-24(30-16)23-15-27(2,3)31-25-14-20-10-9-19(12-21(20)13-22(23)25)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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n/an/an/a 13n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human RAR alpha


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075877
PNG
(4-[5,5-Dimethyl-8-(5-methyl-thiophen-2-yl)-5,6-dih...)
Show SMILES Cc1ccc(s1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2S/c1-17-4-11-26(31-17)23-12-13-28(2,3)25-16-21-10-9-20(14-22(21)15-24(23)25)18-5-7-19(8-6-18)27(29)30/h4-12,14-16H,13H2,1-3H3,(H,29,30)
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n/an/an/a 11n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075880
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-anthracen-2-...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H26O2/c1-19-4-6-21(7-5-19)26-14-15-30(2,3)28-18-24-13-12-23(16-25(24)17-27(26)28)20-8-10-22(11-9-20)29(31)32/h4-14,16-18H,15H2,1-3H3,(H,31,32)
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n/an/an/a 4n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor beta


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075879
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-1-thia-anthracen-6-yl...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O2S/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/an/a 5n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075881
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-1-th...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O2S2/c1-16-4-11-24(30-16)23-15-27(2,3)31-25-14-20-10-9-19(12-21(20)13-22(23)25)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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n/an/an/a 18n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075880
PNG
(4-(5,5-Dimethyl-8-p-tolyl-5,6-dihydro-anthracen-2-...)
Show SMILES Cc1ccc(cc1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H26O2/c1-19-4-6-21(7-5-19)26-14-15-30(2,3)28-18-24-13-12-23(16-25(24)17-27(26)28)20-8-10-22(11-9-20)29(31)32/h4-14,16-18H,15H2,1-3H3,(H,31,32)
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n/an/an/a 7n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50075879
PNG
(4-(2,2-Dimethyl-4-p-tolyl-2H-1-thia-anthracen-6-yl...)
Show SMILES Cc1ccc(cc1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24O2S/c1-18-4-6-20(7-5-18)26-17-29(2,3)32-27-16-23-13-12-22(14-24(23)15-25(26)27)19-8-10-21(11-9-19)28(30)31/h4-17H,1-3H3,(H,30,31)
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n/an/an/a 5.5n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human RAR alpha


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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n/an/an/a 33n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor gamma


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075877
PNG
(4-[5,5-Dimethyl-8-(5-methyl-thiophen-2-yl)-5,6-dih...)
Show SMILES Cc1ccc(s1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2S/c1-17-4-11-26(31-17)23-12-13-28(2,3)25-16-21-10-9-20(14-22(21)15-24(23)25)18-5-7-19(8-6-18)27(29)30/h4-12,14-16H,13H2,1-3H3,(H,29,30)
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n/an/an/a 6n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor beta


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50075881
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-1-th...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Sc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O2S2/c1-16-4-11-24(30-16)23-15-27(2,3)31-25-14-20-10-9-19(12-21(20)13-22(23)25)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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n/an/an/a 13n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human Retinoic acid receptor beta


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50075877
PNG
(4-[5,5-Dimethyl-8-(5-methyl-thiophen-2-yl)-5,6-dih...)
Show SMILES Cc1ccc(s1)C1=CCC(C)(C)c2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24O2S/c1-17-4-11-26(31-17)23-12-13-28(2,3)25-16-21-10-9-20(14-22(21)15-24(23)25)18-5-7-19(8-6-18)27(29)30/h4-12,14-16H,13H2,1-3H3,(H,29,30)
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n/an/an/a 15n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Binding affinity of [3H]- RA to baculovirus expressed human RAR alpha


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta


(Homo sapiens (Human))
BDBM50075876
PNG
(4-[2,2-Dimethyl-4-(5-methyl-thiophen-2-yl)-2H-benz...)
Show SMILES Cc1ccc(s1)C1=CC(C)(C)Oc2cc3ccc(cc3cc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H22O3S/c1-16-4-11-25(31-16)23-15-27(2,3)30-24-14-20-10-9-19(12-21(20)13-22(23)24)17-5-7-18(8-6-17)26(28)29/h4-15H,1-3H3,(H,28,29)
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n/an/an/a 12n/an/an/an/an/a



Allergan Inc

Curated by ChEMBL


Assay Description
Antagonistic activity against RAR alpha in transcriptional activation assay with 32 nM TTNPB


Bioorg Med Chem Lett 9: 743-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00077-3
BindingDB Entry DOI: 10.7270/Q26Q1WFP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%