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PubMed code 15615521

Compile data set for download or QSAR
Found 28 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50091698
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15+
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n/an/a 2.40n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158410
PNG
(4-((+/-)-(1H-imidazol-1-yl)-N-(imidazolyl)-(E)-ret...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(=O)n1ccnc1 |c:4|
Show InChI InChI=1S/C26H32N4O/c1-20(7-6-8-21(2)17-25(31)30-16-14-28-19-30)9-10-23-22(3)24(11-12-26(23,4)5)29-15-13-27-18-29/h6-10,13-19,24H,11-12H2,1-5H3/b8-6+,10-9+,20-7+,21-17+
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n/an/a 5.20n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50091698
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15+
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n/an/a 6.30n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158410
PNG
(4-((+/-)-(1H-imidazol-1-yl)-N-(imidazolyl)-(E)-ret...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(=O)n1ccnc1 |c:4|
Show InChI InChI=1S/C26H32N4O/c1-20(7-6-8-21(2)17-25(31)30-16-14-28-19-30)9-10-23-22(3)24(11-12-26(23,4)5)29-15-13-27-18-29/h6-10,13-19,24H,11-12H2,1-5H3/b8-6+,10-9+,20-7+,21-17+
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n/an/a 10n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50091698
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15+
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n/an/a 10.9n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human MCF7 cells assessed ATRA as metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158411
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C29H35N3O2/c1-21(7-6-8-22(2)19-28(34)31-24-10-12-25(33)13-11-24)9-14-26-23(3)27(15-16-29(26,4)5)32-18-17-30-20-32/h6-14,17-20,27,33H,15-16H2,1-5H3,(H,31,34)/b8-6+,14-9+,21-7+,22-19+
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n/an/a 24n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158410
PNG
(4-((+/-)-(1H-imidazol-1-yl)-N-(imidazolyl)-(E)-ret...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(=O)n1ccnc1 |c:4|
Show InChI InChI=1S/C26H32N4O/c1-20(7-6-8-21(2)17-25(31)30-16-14-28-19-30)9-10-23-22(3)24(11-12-26(23,4)5)29-15-13-27-18-29/h6-10,13-19,24H,11-12H2,1-5H3/b8-6+,10-9+,20-7+,21-17+
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n/an/a 24.7n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human MCF7 cells assessed ATRA as metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158415
PNG
(4-((+/-)-(1H-imidazol-1-yl)-(E)-methylretinoate | ...)
Show SMILES COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1 |c:14|
Show InChI InChI=1S/C24H32N2O2/c1-18(8-7-9-19(2)16-23(27)28-6)10-11-21-20(3)22(12-13-24(21,4)5)26-15-14-25-17-26/h7-11,14-17,22H,12-13H2,1-6H3/b9-7+,11-10+,18-8+,19-16+
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n/an/a 40n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158411
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C29H35N3O2/c1-21(7-6-8-22(2)19-28(34)31-24-10-12-25(33)13-11-24)9-14-26-23(3)27(15-16-29(26,4)5)32-18-17-30-20-32/h6-14,17-20,27,33H,15-16H2,1-5H3,(H,31,34)/b8-6+,14-9+,21-7+,22-19+
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n/an/a 56n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human MCF7 cells assessed ATRA as metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158415
PNG
(4-((+/-)-(1H-imidazol-1-yl)-(E)-methylretinoate | ...)
Show SMILES COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1 |c:14|
Show InChI InChI=1S/C24H32N2O2/c1-18(8-7-9-19(2)16-23(27)28-6)10-11-21-20(3)22(12-13-24(21,4)5)26-15-14-25-17-26/h7-11,14-17,22H,12-13H2,1-6H3/b9-7+,11-10+,18-8+,19-16+
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n/an/a 200n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human MCF7 cells assessed ATRA as metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158415
PNG
(4-((+/-)-(1H-imidazol-1-yl)-(E)-methylretinoate | ...)
Show SMILES COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1 |c:14|
Show InChI InChI=1S/C24H32N2O2/c1-18(8-7-9-19(2)16-23(27)28-6)10-11-21-20(3)22(12-13-24(21,4)5)26-15-14-25-17-26/h7-11,14-17,22H,12-13H2,1-6H3/b9-7+,11-10+,18-8+,19-16+
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n/an/a 215n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158414
PNG
((R,2E,4E,6E,8E)-methyl 9-(3-(1H-imidazol-1-yl)-2,6...)
Show SMILES COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)[C@@H](CCC1(C)C)n1ccnc1 |r,c:14|
Show InChI InChI=1S/C24H32N2O2/c1-18(8-7-9-19(2)16-23(27)28-6)10-11-21-20(3)22(12-13-24(21,4)5)26-15-14-25-17-26/h7-11,14-17,22H,12-13H2,1-6H3/b9-7+,11-10+,18-8+,19-16+/t22-/m1/s1
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n/an/a 680n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158414
PNG
((R,2E,4E,6E,8E)-methyl 9-(3-(1H-imidazol-1-yl)-2,6...)
Show SMILES COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)[C@@H](CCC1(C)C)n1ccnc1 |r,c:14|
Show InChI InChI=1S/C24H32N2O2/c1-18(8-7-9-19(2)16-23(27)28-6)10-11-21-20(3)22(12-13-24(21,4)5)26-15-14-25-17-26/h7-11,14-17,22H,12-13H2,1-6H3/b9-7+,11-10+,18-8+,19-16+/t22-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
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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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158414
PNG
((R,2E,4E,6E,8E)-methyl 9-(3-(1H-imidazol-1-yl)-2,6...)
Show SMILES COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)[C@@H](CCC1(C)C)n1ccnc1 |r,c:14|
Show InChI InChI=1S/C24H32N2O2/c1-18(8-7-9-19(2)16-23(27)28-6)10-11-21-20(3)22(12-13-24(21,4)5)26-15-14-25-17-26/h7-11,14-17,22H,12-13H2,1-6H3/b9-7+,11-10+,18-8+,19-16+/t22-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O |c:4|
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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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARalpha


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50158413
PNG
(CHEMBL388283 | N-(1H-1,2,4-triazol-1-yl)-(E)-retin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=CC(C)=CC(=O)n1cncn1 |w:14.14,18.19,c:4|
Show InChI InChI=1S/C22H29N3O/c1-17(11-12-20-19(3)10-7-13-22(20,4)5)8-6-9-18(2)14-21(26)25-16-23-15-24-25/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3/b9-6?,12-11+,17-8+,18-14?
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARalpha


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50091698
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15+
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARalpha


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50158413
PNG
(CHEMBL388283 | N-(1H-1,2,4-triazol-1-yl)-(E)-retin...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=CC(C)=CC(=O)n1cncn1 |w:14.14,18.19,c:4|
Show InChI InChI=1S/C22H29N3O/c1-17(11-12-20-19(3)10-7-13-22(20,4)5)8-6-9-18(2)14-21(26)25-16-23-15-24-25/h6,8-9,11-12,14-16H,7,10,13H2,1-5H3/b9-6?,12-11+,17-8+,18-14?
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50158416
PNG
(4-((+/-)-(1H-imidazol-1-yl)-(13Z)-retinoic acid | ...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15-
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARalpha


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50158416
PNG
(4-((+/-)-(1H-imidazol-1-yl)-(13Z)-retinoic acid | ...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C\C(O)=O |c:4|
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15-
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n/an/a 1.75E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50091698
PNG
((2E,4E,6E,8E)-9-(3-Imidazol-1-yl-2,6,6-trimethyl-c...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C23H30N2O2/c1-17(7-6-8-18(2)15-22(26)27)9-10-20-19(3)21(11-12-23(20,4)5)25-14-13-24-16-25/h6-10,13-16,21H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,17-7+,18-15+
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n/an/a 1.75E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50091699
PNG
((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-[1...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1cnnc1)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C22H29N3O2/c1-16(7-6-8-17(2)13-21(26)27)9-10-19-18(3)20(11-12-22(19,4)5)25-14-23-24-15-25/h6-10,13-15,20H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,16-7+,17-13+
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n/an/a 2.50E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50091699
PNG
((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-[1...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1cnnc1)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C22H29N3O2/c1-16(7-6-8-17(2)13-21(26)27)9-10-19-18(3)20(11-12-22(19,4)5)25-14-23-24-15-25/h6-10,13-15,20H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,16-7+,17-13+
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n/an/a 4.10E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARalpha


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50158412
PNG
(CHEMBL388064 | N-(1H-imidazole-1-yl)-(E)-retinamid...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)n1ccnc1 |c:4|
Show InChI InChI=1S/C23H30N2O/c1-18(11-12-21-20(3)10-7-13-23(21,4)5)8-6-9-19(2)16-22(26)25-15-14-24-17-25/h6,8-9,11-12,14-17H,7,10,13H2,1-5H3/b9-6+,12-11+,18-8+,19-16+
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n/an/a 5.00E+5n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50158412
PNG
(CHEMBL388064 | N-(1H-imidazole-1-yl)-(E)-retinamid...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)n1ccnc1 |c:4|
Show InChI InChI=1S/C23H30N2O/c1-18(11-12-21-20(3)10-7-13-23(21,4)5)8-6-9-19(2)16-22(26)25-15-14-24-17-25/h6,8-9,11-12,14-17H,7,10,13H2,1-5H3/b9-6+,12-11+,18-8+,19-16+
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARalpha


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid receptor


(Homo sapiens (Human))
BDBM50091700
PNG
((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-[1...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1cncn1)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C22H29N3O2/c1-16(7-6-8-17(2)13-21(26)27)9-10-19-18(3)20(11-12-22(19,4)5)25-15-23-14-24-25/h6-10,13-15,20H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,16-7+,17-13+
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARbeta


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Retinoid X receptor gamma/retinoic acid receptor alpha


(Homo sapiens (Human))
BDBM50091700
PNG
((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-3-[1...)
Show SMILES C\C(\C=C\C1=C(C)C(CCC1(C)C)n1cncn1)=C/C=C/C(/C)=C/C(O)=O |c:4|
Show InChI InChI=1S/C22H29N3O2/c1-16(7-6-8-17(2)13-21(26)27)9-10-19-18(3)20(11-12-22(19,4)5)25-15-23-14-24-25/h6-10,13-15,20H,11-12H2,1-5H3,(H,26,27)/b8-6+,10-9+,16-7+,17-13+
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [11,12-3H]ARTA from RARalpha


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%