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Compile Data Set for Download or QSAR

Found 275 hits Enz. Inhib. hit(s) with Target = 'photoreceptor-specific nuclear receptor'   
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
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192208
PNG
(2-chloro-N-(4-(5-(cyclopropanecarboxamido)-1H-benz...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3CC3)cc2[nH]1
Show InChI InChI=1S/C24H19ClN4O2/c25-19-4-2-1-3-18(19)24(31)26-16-9-7-14(8-10-16)22-28-20-12-11-17(13-21(20)29-22)27-23(30)15-5-6-15/h1-4,7-13,15H,5-6H2,(H,26,31)(H,27,30)(H,28,29)
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n/an/an/an/a 35n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192208
PNG
(2-chloro-N-(4-(5-(cyclopropanecarboxamido)-1H-benz...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3CC3)cc2[nH]1
Show InChI InChI=1S/C24H19ClN4O2/c25-19-4-2-1-3-18(19)24(31)26-16-9-7-14(8-10-16)22-28-20-12-11-17(13-21(20)29-22)27-23(30)15-5-6-15/h1-4,7-13,15H,5-6H2,(H,26,31)(H,27,30)(H,28,29)
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n/an/an/an/a 141n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192198
PNG
(2-chloro-N-(4-(5-isobutyramido-1H-benzo[d]imidazol...)
Show SMILES CC(C)C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C24H21ClN4O2/c1-14(2)23(30)27-17-11-12-20-21(13-17)29-22(28-20)15-7-9-16(10-8-15)26-24(31)18-5-3-4-6-19(18)25/h3-14H,1-2H3,(H,26,31)(H,27,30)(H,28,29)
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n/an/an/an/a 147n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192209
PNG
(2-chloro-N-(2-{4-[(2-fluorobenzene)amido]phenyl}-1...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C27H18ClFN4O2/c28-21-7-3-1-5-19(21)26(34)31-18-13-14-23-24(15-18)33-25(32-23)16-9-11-17(12-10-16)30-27(35)20-6-2-4-8-22(20)29/h1-15H,(H,30,35)(H,31,34)(H,32,33)
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n/an/an/an/a 170n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192204
PNG
(2-chloro-N-(2-{4-[(2-methylbenzene)amido]phenyl}-1...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C28H21ClN4O2/c1-17-6-2-3-7-21(17)27(34)30-19-12-10-18(11-13-19)26-32-24-15-14-20(16-25(24)33-26)31-28(35)22-8-4-5-9-23(22)29/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33)
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n/an/an/an/a 260n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192202
PNG
(2-chloro-N-(4-(5-((1S,2R)-2-fluorocyclopropanecarb...)
Show SMILES F[C@@H]1C[C@H]1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C24H18ClFN4O2/c25-18-4-2-1-3-16(18)23(31)27-14-7-5-13(6-8-14)22-29-20-10-9-15(11-21(20)30-22)28-24(32)17-12-19(17)26/h1-11,17,19H,12H2,(H,27,31)(H,28,32)(H,29,30)/t17-,19-/m1/s1
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n/an/an/an/a 260n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192210
PNG
(CHEMBL215539 | N-[2-(4-benzoylamino-phenyl)-1H-ben...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H19ClN4O2/c28-22-9-5-4-8-21(22)27(34)30-20-14-15-23-24(16-20)32-25(31-23)17-10-12-19(13-11-17)29-26(33)18-6-2-1-3-7-18/h1-16H,(H,29,33)(H,30,34)(H,31,32)
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n/an/an/an/a 270n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192209
PNG
(2-chloro-N-(2-{4-[(2-fluorobenzene)amido]phenyl}-1...)
Show SMILES Fc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C27H18ClFN4O2/c28-21-7-3-1-5-19(21)26(34)31-18-13-14-23-24(15-18)33-25(32-23)16-9-11-17(12-10-16)30-27(35)20-6-2-4-8-22(20)29/h1-15H,(H,30,35)(H,31,34)(H,32,33)
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n/an/an/an/a 270n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192198
PNG
(2-chloro-N-(4-(5-isobutyramido-1H-benzo[d]imidazol...)
Show SMILES CC(C)C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C24H21ClN4O2/c1-14(2)23(30)27-17-11-12-20-21(13-17)29-22(28-20)15-7-9-16(10-8-15)26-24(31)18-5-3-4-6-19(18)25/h3-14H,1-2H3,(H,26,31)(H,27,30)(H,28,29)
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n/an/an/an/a 316n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192204
PNG
(2-chloro-N-(2-{4-[(2-methylbenzene)amido]phenyl}-1...)
Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C28H21ClN4O2/c1-17-6-2-3-7-21(17)27(34)30-19-12-10-18(11-13-19)26-32-24-15-14-20(16-25(24)33-26)31-28(35)22-8-4-5-9-23(22)29/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33)
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n/an/an/an/a 330n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192207
PNG
(2-chloro-N-(4-(5-(1-phenylcyclopropanecarboxamido)...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3(CC3)c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C30H23ClN4O2/c31-24-9-5-4-8-23(24)28(36)32-21-12-10-19(11-13-21)27-34-25-15-14-22(18-26(25)35-27)33-29(37)30(16-17-30)20-6-2-1-3-7-20/h1-15,18H,16-17H2,(H,32,36)(H,33,37)(H,34,35)
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n/an/an/an/a 370n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192210
PNG
(CHEMBL215539 | N-[2-(4-benzoylamino-phenyl)-1H-ben...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H19ClN4O2/c28-22-9-5-4-8-21(22)27(34)30-20-14-15-23-24(16-20)32-25(31-23)17-10-12-19(13-11-17)29-26(33)18-6-2-1-3-7-18/h1-16H,(H,29,33)(H,30,34)(H,31,32)
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n/an/an/an/a 610n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192202
PNG
(2-chloro-N-(4-(5-((1S,2R)-2-fluorocyclopropanecarb...)
Show SMILES F[C@@H]1C[C@H]1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C24H18ClFN4O2/c25-18-4-2-1-3-16(18)23(31)27-14-7-5-13(6-8-14)22-29-20-10-9-15(11-21(20)30-22)28-24(32)17-12-19(17)26/h1-11,17,19H,12H2,(H,27,31)(H,28,32)(H,29,30)/t17-,19-/m1/s1
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n/an/an/an/a 720n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192205
PNG
(2-chloro-N-(4-(5-(cyclobutanecarboxamido)-1H-benzo...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3CCC3)cc2[nH]1
Show InChI InChI=1S/C25H21ClN4O2/c26-20-7-2-1-6-19(20)25(32)27-17-10-8-15(9-11-17)23-29-21-13-12-18(14-22(21)30-23)28-24(31)16-4-3-5-16/h1-2,6-14,16H,3-5H2,(H,27,32)(H,28,31)(H,29,30)
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n/an/an/an/a 986n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192201
PNG
(2-chloro-N-(4-(5-(cyclopentanecarboxamido)-1H-benz...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3CCCC3)cc2[nH]1
Show InChI InChI=1S/C26H23ClN4O2/c27-21-8-4-3-7-20(21)26(33)28-18-11-9-16(10-12-18)24-30-22-14-13-19(15-23(22)31-24)29-25(32)17-5-1-2-6-17/h3-4,7-15,17H,1-2,5-6H2,(H,28,33)(H,29,32)(H,30,31)
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n/an/an/an/a 1.32E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192205
PNG
(2-chloro-N-(4-(5-(cyclobutanecarboxamido)-1H-benzo...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3CCC3)cc2[nH]1
Show InChI InChI=1S/C25H21ClN4O2/c26-20-7-2-1-6-19(20)25(32)27-17-10-8-15(9-11-17)23-29-21-13-12-18(14-22(21)30-23)28-24(31)16-4-3-5-16/h1-2,6-14,16H,3-5H2,(H,27,32)(H,28,31)(H,29,30)
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n/an/an/an/a 1.33E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192203
PNG
(2-chloro-N-(4-(5-(2,2-difluorocyclopropanecarboxam...)
Show SMILES FC1(F)CC1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C24H17ClF2N4O2/c25-18-4-2-1-3-16(18)22(32)28-14-7-5-13(6-8-14)21-30-19-10-9-15(11-20(19)31-21)29-23(33)17-12-24(17,26)27/h1-11,17H,12H2,(H,28,32)(H,29,33)(H,30,31)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192199
PNG
(2-chloro-N-(4-(5-(2-chlorobenzamido)-1H-benzo[d]im...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2cccnc2Cl)cc1
Show InChI InChI=1S/C26H17Cl2N5O2/c27-20-6-2-1-4-18(20)25(34)31-17-11-12-21-22(14-17)33-24(32-21)15-7-9-16(10-8-15)30-26(35)19-5-3-13-29-23(19)28/h1-14H,(H,30,35)(H,31,34)(H,32,33)
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n/an/an/an/a 2.20E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192197
PNG
(2-chloro-N-(4-(5-(1-methylcyclopropanecarboxamido)...)
Show SMILES CC1(CC1)C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C25H21ClN4O2/c1-25(12-13-25)24(32)28-17-10-11-20-21(14-17)30-22(29-20)15-6-8-16(9-7-15)27-23(31)18-4-2-3-5-19(18)26/h2-11,14H,12-13H2,1H3,(H,27,31)(H,28,32)(H,29,30)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192196
PNG
(2-chloro-N-(4-(5-pivalamido-1H-benzo[d]imidazol-2-...)
Show SMILES CC(C)(C)C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C25H23ClN4O2/c1-25(2,3)24(32)28-17-12-13-20-21(14-17)30-22(29-20)15-8-10-16(11-9-15)27-23(31)18-6-4-5-7-19(18)26/h4-14H,1-3H3,(H,27,31)(H,28,32)(H,29,30)
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n/an/an/an/a 2.61E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192197
PNG
(2-chloro-N-(4-(5-(1-methylcyclopropanecarboxamido)...)
Show SMILES CC1(CC1)C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C25H21ClN4O2/c1-25(12-13-25)24(32)28-17-10-11-20-21(14-17)30-22(29-20)15-6-8-16(9-7-15)27-23(31)18-4-2-3-5-19(18)26/h2-11,14H,12-13H2,1H3,(H,27,31)(H,28,32)(H,29,30)
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n/an/an/an/a 2.90E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192203
PNG
(2-chloro-N-(4-(5-(2,2-difluorocyclopropanecarboxam...)
Show SMILES FC1(F)CC1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C24H17ClF2N4O2/c25-18-4-2-1-3-16(18)22(32)28-14-7-5-13(6-8-14)21-30-19-10-9-15(11-20(19)31-21)29-23(33)17-12-24(17,26)27/h1-11,17H,12H2,(H,28,32)(H,29,33)(H,30,31)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192201
PNG
(2-chloro-N-(4-(5-(cyclopentanecarboxamido)-1H-benz...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3CCCC3)cc2[nH]1
Show InChI InChI=1S/C26H23ClN4O2/c27-21-8-4-3-7-20(21)26(33)28-18-11-9-16(10-12-18)24-30-22-14-13-19(15-23(22)31-24)29-25(32)17-5-1-2-6-17/h3-4,7-15,17H,1-2,5-6H2,(H,28,33)(H,29,32)(H,30,31)
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n/an/an/an/a 3.16E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192213
PNG
(2-chloro-N-(2-(1-(4-fluorophenyl)-1H-pyrazol-4-yl)...)
Show SMILES Fc1ccc(cc1)-n1cc(cn1)-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C23H15ClFN5O/c24-19-4-2-1-3-18(19)23(31)27-16-7-10-20-21(11-16)29-22(28-20)14-12-26-30(13-14)17-8-5-15(25)6-9-17/h1-13H,(H,27,31)(H,28,29)
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n/an/an/an/a 4.10E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192211
PNG
(2-chloro-N-(3-{5-[(2-chlorobenzene)amido]-1H-1,3-b...)
Show SMILES Clc1ccccc1C(=O)Nc1cccc(c1)-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C27H18Cl2N4O2/c28-21-10-3-1-8-19(21)26(34)30-17-7-5-6-16(14-17)25-32-23-13-12-18(15-24(23)33-25)31-27(35)20-9-2-4-11-22(20)29/h1-15H,(H,30,34)(H,31,35)(H,32,33)
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n/an/an/an/a 4.10E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192200
PNG
(2-chloro-N-(2-(3,5-dichloro-2-hydroxyphenyl)-1H-be...)
Show SMILES Oc1c(Cl)cc(Cl)cc1-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C20H12Cl3N3O2/c21-10-7-13(18(27)15(23)8-10)19-25-16-6-5-11(9-17(16)26-19)24-20(28)12-3-1-2-4-14(12)22/h1-9,27H,(H,24,28)(H,25,26)
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n/an/an/an/a 4.20E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192199
PNG
(2-chloro-N-(4-(5-(2-chlorobenzamido)-1H-benzo[d]im...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2cccnc2Cl)cc1
Show InChI InChI=1S/C26H17Cl2N5O2/c27-20-6-2-1-4-18(20)25(34)31-17-11-12-21-22(14-17)33-24(32-21)15-7-9-16(10-8-15)30-26(35)19-5-3-13-29-23(19)28/h1-14H,(H,30,35)(H,31,34)(H,32,33)
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n/an/an/an/a 4.80E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192196
PNG
(2-chloro-N-(4-(5-pivalamido-1H-benzo[d]imidazol-2-...)
Show SMILES CC(C)(C)C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C25H23ClN4O2/c1-25(2,3)24(32)28-17-12-13-20-21(14-17)30-22(29-20)15-8-10-16(11-9-15)27-23(31)18-6-4-5-7-19(18)26/h4-14H,1-3H3,(H,27,31)(H,28,32)(H,29,30)
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n/an/an/an/a 6.27E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192206
PNG
(CHEMBL215363 | N-(2-(benzo[d][1,3]dioxol-5-yl)-1H-...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H14ClN3O3/c22-15-4-2-1-3-14(15)21(26)23-13-6-7-16-17(10-13)25-20(24-16)12-5-8-18-19(9-12)28-11-27-18/h1-10H,11H2,(H,23,26)(H,24,25)
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n/an/an/an/a 7.20E+3n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192212
PNG
(2-chloro-N-(4-(5-(1-cyanocyclopropanecarboxamido)-...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3(CC3)C#N)cc2[nH]1
Show InChI InChI=1S/C25H18ClN5O2/c26-19-4-2-1-3-18(19)23(32)28-16-7-5-15(6-8-16)22-30-20-10-9-17(13-21(20)31-22)29-24(33)25(14-27)11-12-25/h1-10,13H,11-12H2,(H,28,32)(H,29,33)(H,30,31)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by luciferase NCOR release assay in CHO cells


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192211
PNG
(2-chloro-N-(3-{5-[(2-chlorobenzene)amido]-1H-1,3-b...)
Show SMILES Clc1ccccc1C(=O)Nc1cccc(c1)-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C27H18Cl2N4O2/c28-21-10-3-1-8-19(21)26(34)30-17-7-5-6-16(14-17)25-32-23-13-12-18(15-24(23)33-25)31-27(35)20-9-2-4-11-22(20)29/h1-15H,(H,30,34)(H,31,35)(H,32,33)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192212
PNG
(2-chloro-N-(4-(5-(1-cyanocyclopropanecarboxamido)-...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3(CC3)C#N)cc2[nH]1
Show InChI InChI=1S/C25H18ClN5O2/c26-19-4-2-1-3-18(19)23(32)28-16-7-5-15(6-8-16)22-30-20-10-9-17(13-21(20)31-22)29-24(33)25(14-27)11-12-25/h1-10,13H,11-12H2,(H,28,32)(H,29,33)(H,30,31)
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n/an/an/an/a 1.70E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192200
PNG
(2-chloro-N-(2-(3,5-dichloro-2-hydroxyphenyl)-1H-be...)
Show SMILES Oc1c(Cl)cc(Cl)cc1-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C20H12Cl3N3O2/c21-10-7-13(18(27)15(23)8-10)19-25-16-6-5-11(9-17(16)26-19)24-20(28)12-3-1-2-4-14(12)22/h1-9,27H,(H,24,28)(H,25,26)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192207
PNG
(2-chloro-N-(4-(5-(1-phenylcyclopropanecarboxamido)...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc(cc1)-c1nc2ccc(NC(=O)C3(CC3)c3ccccc3)cc2[nH]1
Show InChI InChI=1S/C30H23ClN4O2/c31-24-9-5-4-8-23(24)28(36)32-21-12-10-19(11-13-21)27-34-25-15-14-22(18-26(25)35-27)33-29(37)30(16-17-30)20-6-2-1-3-7-20/h1-15,18H,16-17H2,(H,32,36)(H,33,37)(H,34,35)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192213
PNG
(2-chloro-N-(2-(1-(4-fluorophenyl)-1H-pyrazol-4-yl)...)
Show SMILES Fc1ccc(cc1)-n1cc(cn1)-c1nc2ccc(NC(=O)c3ccccc3Cl)cc2[nH]1
Show InChI InChI=1S/C23H15ClFN5O/c24-19-4-2-1-3-18(19)23(31)27-16-7-10-20-21(11-16)29-22(28-20)14-12-26-30(13-14)17-8-5-15(25)6-9-17/h1-13H,(H,27,31)(H,28,29)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50192206
PNG
(CHEMBL215363 | N-(2-(benzo[d][1,3]dioxol-5-yl)-1H-...)
Show SMILES Clc1ccccc1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C21H14ClN3O3/c22-15-4-2-1-3-14(15)21(26)23-13-6-7-16-17(10-13)25-20(24-16)12-5-8-18-19(9-12)28-11-27-18/h1-10H,11H2,(H,23,26)(H,24,25)
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n/an/an/an/a>2.50E+4n/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Agonist activity at NR2E3 by beta lactamase transactivation assay


Bioorg Med Chem Lett 16: 5001-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.056
BindingDB Entry DOI: 10.7270/Q280528D
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM47301
PNG
(3,5,5-trimethyl-2-sulfanylidene-1,6-dihydrobenzo[h...)
Show SMILES Cn1c(=S)[nH]c2-c3ccccc3CC(C)(C)c2c1=O
Show InChI InChI=1S/C15H16N2OS/c1-15(2)8-9-6-4-5-7-10(9)12-11(15)13(18)17(3)14(19)16-12/h4-7H,8H2,1-3H3,(H,16,19)
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PCBioAssay
n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM47304
PNG
(3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenyle...)
Show SMILES O=C(C1C(N(CCc2ccccc2)C(=O)C1=O)c1ccncc1)c1cc2ccccc2o1
Show InChI InChI=1S/C26H20N2O4/c29-24(21-16-19-8-4-5-9-20(19)32-21)22-23(18-10-13-27-14-11-18)28(26(31)25(22)30)15-12-17-6-2-1-3-7-17/h1-11,13-14,16,22-23H,12,15H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM66177
PNG
(2-(1,3-benzodioxol-5-yl)-6-bromanyl-quinoline-4-ca...)
Show SMILES OC(=O)c1cc(nc2ccc(Br)cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H10BrNO4/c18-10-2-3-13-11(6-10)12(17(20)21)7-14(19-13)9-1-4-15-16(5-9)23-8-22-15/h1-7H,8H2,(H,20,21)
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n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM57855
PNG
(2-(benzylthio)-1H-quinazoline-4-thione | 2-(benzyl...)
Show SMILES S=c1[nH]c(SCc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C15H12N2S2/c18-14-12-8-4-5-9-13(12)16-15(17-14)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
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n/an/a>3.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM66178
PNG
(3-(4-fluorophenyl)-2-sulfanylidene-1H-[1]benzofuro...)
Show SMILES Fc1ccc(cc1)-n1c(=S)[nH]c2c3ccccc3oc2c1=O
Show InChI InChI=1S/C16H9FN2O2S/c17-9-5-7-10(8-6-9)19-15(20)14-13(18-16(19)22)11-3-1-2-4-12(11)21-14/h1-8H,(H,18,22)
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n/an/a 2.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM47342
PNG
(MLS000420245 | N-[4-(2-thienyl)-5-(2,2,2-trifluoro...)
Show SMILES FC(F)(F)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1cccs1
Show InChI InChI=1S/C14H7F3N2O3S2/c15-14(16,17)11(20)10-9(8-4-2-6-23-8)18-13(24-10)19-12(21)7-3-1-5-22-7/h1-6H,(H,18,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM45667
PNG
(6-(4-bromophenyl)-3-methyl-1-[2-(2H-1,2,3,4-tetraz...)
Show SMILES Cc1nn(CCc2nnn[nH]2)c2nc(cc(c12)C(F)(F)F)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrF3N7/c1-9-15-12(17(19,20)21)8-13(10-2-4-11(18)5-3-10)22-16(15)28(25-9)7-6-14-23-26-27-24-14/h2-5,8H,6-7H2,1H3,(H,23,24,26,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM66179
PNG
(4-(4-butoxyphenyl)-5-cyano-2-methyl-N-phenyl-6-sul...)
Show SMILES CCCCOc1ccc(cc1)-c1c(C#N)c(=S)[nH]c(C)c1C(=O)Nc1ccccc1
Show InChI InChI=1S/C24H23N3O2S/c1-3-4-14-29-19-12-10-17(11-13-19)22-20(15-25)24(30)26-16(2)21(22)23(28)27-18-8-6-5-7-9-18/h5-13H,3-4,14H2,1-2H3,(H,26,30)(H,27,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM35362
PNG
(5-bromanyl-N-(3-cyano-1-phenyl-pyrrolo[3,2-b]quino...)
Show SMILES Brc1ccc(o1)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1
Show InChI InChI=1S/C22H12BrN5O2/c23-18-11-10-17(30-18)22(29)27-20-14(12-24)19-21(28(20)13-6-2-1-3-7-13)26-16-9-5-4-8-15(16)25-19/h1-11H,(H,27,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM66180
PNG
(5-Isopropyl-10-thioxo-1,2,3,4,10,11-hexahydro-9H-7...)
Show SMILES CC(C)c1nc2sc3c([nH]c(=S)[nH]c3=O)c2c2CCCCc12
Show InChI InChI=1S/C16H17N3OS2/c1-7(2)11-9-6-4-3-5-8(9)10-12-13(22-15(10)17-11)14(20)19-16(21)18-12/h7H,3-6H2,1-2H3,(H2,18,19,20,21)
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n/an/a 1.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM52817
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
Show InChI InChI=1S/C14H11NO6S2/c16-11(17)7-9(13(19)20)15-12(18)10(23-14(15)22)5-1-3-8-4-2-6-21-8/h1-6,9H,7H2,(H,16,17)(H,19,20)/b3-1+,10-5-
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM66181
PNG
(2-[(6,8-dibromo-4-keto-1H-quinazolin-2-yl)methyl-e...)
Show SMILES CCN(CC(=O)NC(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
Show InChI InChI=1S/C16H20Br2N4O2/c1-4-22(8-14(23)19-9(2)3)7-13-20-15-11(16(24)21-13)5-10(17)6-12(15)18/h5-6,9H,4,7-8H2,1-3H3,(H,19,23)(H,20,21,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
photoreceptor-specific nuclear receptor


(Homo sapiens)
BDBM66182
PNG
(2-[[6,8-bis(bromanyl)-4-oxidanylidene-1H-quinazoli...)
Show SMILES CCN(CC(=O)NC(C)(C)C)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
Show InChI InChI=1S/C17H22Br2N4O2/c1-5-23(9-14(24)22-17(2,3)4)8-13-20-15-11(16(25)21-13)6-10(18)7-12(15)19/h6-7H,5,8-9H2,1-4H3,(H,22,24)(H,20,21,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D21W22
More data for this
Ligand-Target Pair
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