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Compile Data Set for Download or QSAR

Found 86 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group D member 1'   
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
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434026
PNG
(CHEMBL2381196)
Show SMILES Cc1cc(Cl)ccc1CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C20H18Cl2N2O2S/c1-14-10-18(22)7-4-16(14)12-23(11-15-2-5-17(21)6-3-15)13-19-8-9-20(27-19)24(25)26/h2-10H,11-13H2,1H3
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n/an/an/an/a 50n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434038
PNG
(CHEMBL2381198)
Show SMILES [O-][N+](=O)c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccccc2F)s1
Show InChI InChI=1S/C19H16ClFN2O2S/c20-16-7-5-14(6-8-16)11-22(12-15-3-1-2-4-18(15)21)13-17-9-10-19(26-17)23(24)25/h1-10H,11-13H2
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n/an/an/an/a 63n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383675
PNG
(CHEMBL2030074)
Show SMILES CCCOc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C30H29NO3/c1-2-18-33-26-14-16-27(17-15-26)34-21-25-19-23-9-3-4-10-24(23)20-31(25)30(32)29-13-7-11-22-8-5-6-12-28(22)29/h3-17,25H,2,18-21H2,1H3
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n/an/an/an/a 77n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383674
PNG
(CHEMBL2030073)
Show SMILES CCOc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C29H27NO3/c1-2-32-25-14-16-26(17-15-25)33-20-24-18-22-9-3-4-10-23(22)19-30(24)29(31)28-13-7-11-21-8-5-6-12-27(21)28/h3-17,24H,2,18-20H2,1H3
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n/an/an/an/a 97n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434025
PNG
(CHEMBL2381197)
Show SMILES [O-][N+](=O)c1ccc(CN(Cc2ccccc2)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C19H17ClN2O2S/c20-17-8-6-16(7-9-17)13-21(12-15-4-2-1-3-5-15)14-18-10-11-19(25-18)22(23)24/h1-11H,12-14H2
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n/an/an/an/a 100n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383678
PNG
(CHEMBL2030077)
Show SMILES O=C(N1Cc2ccccc2CC1COc1ccc(cc1)-n1cncn1)c1cccc2ccccc12
Show InChI InChI=1S/C29H24N4O2/c34-29(28-11-5-9-21-6-3-4-10-27(21)28)32-17-23-8-2-1-7-22(23)16-25(32)18-35-26-14-12-24(13-15-26)33-20-30-19-31-33/h1-15,19-20,25H,16-18H2
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n/an/an/an/a 120n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383673
PNG
(CHEMBL2030072)
Show SMILES COc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C28H25NO3/c1-31-24-13-15-25(16-14-24)32-19-23-17-21-8-2-3-9-22(21)18-29(23)28(30)27-12-6-10-20-7-4-5-11-26(20)27/h2-16,23H,17-19H2,1H3
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n/an/an/an/a 120n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383676
PNG
(CHEMBL2030075)
Show SMILES CC(C)(C)Oc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C31H31NO3/c1-31(2,3)35-27-17-15-26(16-18-27)34-21-25-19-23-10-4-5-11-24(23)20-32(25)30(33)29-14-8-12-22-9-6-7-13-28(22)29/h4-18,25H,19-21H2,1-3H3
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n/an/an/an/a 140n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434041
PNG
(CHEMBL2381199)
Show SMILES CC(C)CCN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H21ClN2O2S/c1-13(2)9-10-19(11-14-3-5-15(18)6-4-14)12-16-7-8-17(23-16)20(21)22/h3-8,13H,9-12H2,1-2H3
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n/an/an/an/a 160n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434042
PNG
(CHEMBL2381200)
Show SMILES [O-][N+](=O)c1ccc(CN(Cc2ccc(Cl)cc2)Cc2cccnc2)s1
Show InChI InChI=1S/C18H16ClN3O2S/c19-16-5-3-14(4-6-16)11-21(12-15-2-1-9-20-10-15)13-17-7-8-18(25-17)22(23)24/h1-10H,11-13H2
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n/an/an/an/a 160n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434031
PNG
(CHEMBL2381201)
Show SMILES Cc1ccc(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2cccnc2)cc1
Show InChI InChI=1S/C19H19N3O2S/c1-15-4-6-16(7-5-15)12-21(13-17-3-2-10-20-11-17)14-18-8-9-19(25-18)22(23)24/h2-11H,12-14H2,1H3
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n/an/an/an/a 160n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434030
PNG
(CHEMBL2381202)
Show SMILES [O-][N+](=O)c1ccc(CN(Cc2ccc(F)cc2)Cc2cccnc2)s1
Show InChI InChI=1S/C18H16FN3O2S/c19-16-5-3-14(4-6-16)11-21(12-15-2-1-9-20-10-15)13-17-7-8-18(25-17)22(23)24/h1-10H,11-13H2
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n/an/an/an/a 160n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434045
PNG
(CHEMBL2381214)
Show SMILES Fc1ccc(CN(Cc2ccc(s2)C#N)Cc2cccnc2)cc1
Show InChI InChI=1S/C19H16FN3S/c20-17-5-3-15(4-6-17)12-23(13-16-2-1-9-22-11-16)14-19-8-7-18(10-21)24-19/h1-9,11H,12-14H2
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434037
PNG
(CHEMBL2381208)
Show SMILES Clc1ccc(CN(Cc2ccc(s2)C#N)Cc2cccnc2)cc1
Show InChI InChI=1S/C19H16ClN3S/c20-17-5-3-15(4-6-17)12-23(13-16-2-1-9-22-11-16)14-19-8-7-18(10-21)24-19/h1-9,11H,12-14H2
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434034
PNG
(CHEMBL2381205)
Show SMILES COc1ccc(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2cccnc2)cc1
Show InChI InChI=1S/C19H19N3O3S/c1-25-17-6-4-15(5-7-17)12-21(13-16-3-2-10-20-11-16)14-18-8-9-19(26-18)22(23)24/h2-11H,12-14H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434036
PNG
(CHEMBL2381204)
Show SMILES Cc1cccc(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2cccnc2)c1
Show InChI InChI=1S/C19H19N3O2S/c1-15-4-2-5-16(10-15)12-21(13-17-6-3-9-20-11-17)14-18-7-8-19(25-18)22(23)24/h2-11H,12-14H2,1H3
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n/an/an/an/a 200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434035
PNG
(CHEMBL2381203)
Show SMILES Cc1ccccc1CN(Cc1ccc(s1)[N+]([O-])=O)Cc1cccnc1
Show InChI InChI=1S/C19H19N3O2S/c1-15-5-2-3-7-17(15)13-21(12-16-6-4-10-20-11-16)14-18-8-9-19(25-18)22(23)24/h2-11H,12-14H2,1H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434039
PNG
(CHEMBL2381193)
Show SMILES Fc1ccc(CN(Cc2ccc(s2)C#N)Cc2cccnc2)cc1F
Show InChI InChI=1S/C19H15F2N3S/c20-18-6-3-14(8-19(18)21)11-24(12-15-2-1-7-23-10-15)13-17-5-4-16(9-22)25-17/h1-8,10H,11-13H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434033
PNG
(CHEMBL2381209)
Show SMILES Cc1sc(CN(Cc2ccc(Cl)cc2)Cc2cccnc2)cc1Br
Show InChI InChI=1S/C19H18BrClN2S/c1-14-19(20)9-18(24-14)13-23(12-16-3-2-8-22-10-16)11-15-4-6-17(21)7-5-15/h2-10H,11-13H2,1H3
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n/an/an/an/a 250n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383682
PNG
(CHEMBL2030081)
Show SMILES COc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1OC
Show InChI InChI=1S/C29H27NO4/c1-32-27-15-14-24(17-28(27)33-2)34-19-23-16-21-9-3-4-10-22(21)18-30(23)29(31)26-13-7-11-20-8-5-6-12-25(20)26/h3-15,17,23H,16,18-19H2,1-2H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388648
PNG
(CHEMBL2059696)
Show SMILES [O-][N+](=O)c1ccc(CN(CC2CCN(C2)C(=O)Nc2ccc(cc2)[N+]([O-])=O)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C24H24ClN5O5S/c25-19-3-1-17(2-4-19)13-27(16-22-9-10-23(36-22)30(34)35)14-18-11-12-28(15-18)24(31)26-20-5-7-21(8-6-20)29(32)33/h1-10,18H,11-16H2,(H,26,31)
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.126
BindingDB Entry DOI: 10.7270/Q2D21ZPZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434043
PNG
(CHEMBL2381206)
Show SMILES COc1cccc(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2cccnc2)c1
Show InChI InChI=1S/C19H19N3O3S/c1-25-17-6-2-4-15(10-17)12-21(13-16-5-3-9-20-11-16)14-18-7-8-19(26-18)22(23)24/h2-11H,12-14H2,1H3
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n/an/an/an/a 400n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383684
PNG
(CHEMBL1961795)
Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClN2O4S/c1-18(2,3)25-17(22)12-20(10-13-4-6-14(19)7-5-13)11-15-8-9-16(26-15)21(23)24/h4-9H,10-12H2,1-3H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as NCoR recruitment by FRET assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434029
PNG
(CHEMBL2381210)
Show SMILES Clc1ccc(CN(Cc2cc3ccccc3s2)Cc2cccnc2)cc1
Show InChI InChI=1S/C22H19ClN2S/c23-20-9-7-17(8-10-20)14-25(15-18-4-3-11-24-13-18)16-21-12-19-5-1-2-6-22(19)26-21/h1-13H,14-16H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434040
PNG
(CHEMBL2381207)
Show SMILES [O-][N+](=O)c1ccc(CN(Cc2cccnc2)Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C19H16F3N3O2S/c20-19(21,22)16-5-1-3-14(9-16)11-24(12-15-4-2-8-23-10-15)13-17-6-7-18(28-17)25(26)27/h1-10H,11-13H2
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388651
PNG
(CHEMBL2059700)
Show SMILES [O-][N+](=O)c1ccc(CN(CC2CCN(C2)S(=O)(=O)c2cccc3ccccc23)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C27H26ClN3O4S2/c28-23-10-8-20(9-11-23)16-29(19-24-12-13-27(36-24)31(32)33)17-21-14-15-30(18-21)37(34,35)26-7-3-5-22-4-1-2-6-25(22)26/h1-13,21H,14-19H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.126
BindingDB Entry DOI: 10.7270/Q2D21ZPZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383684
PNG
(CHEMBL1961795)
Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H21ClN2O4S/c1-18(2,3)25-17(22)12-20(10-13-4-6-14(19)7-5-13)11-15-8-9-16(26-15)21(23)24/h4-9H,10-12H2,1-3H3
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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388649
PNG
(CHEMBL2059697)
Show SMILES CS(=O)(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C18H22ClN3O4S2/c1-28(25,26)21-9-8-15(12-21)11-20(10-14-2-4-16(19)5-3-14)13-17-6-7-18(27-17)22(23)24/h2-7,15H,8-13H2,1H3
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n/an/an/an/a 570n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.126
BindingDB Entry DOI: 10.7270/Q2D21ZPZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383677
PNG
(CHEMBL2030076)
Show SMILES FC(F)(F)Oc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C28H22F3NO3/c29-28(30,31)35-24-14-12-23(13-15-24)34-18-22-16-20-7-1-2-8-21(20)17-32(22)27(33)26-11-5-9-19-6-3-4-10-25(19)26/h1-15,22H,16-18H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388646
PNG
(CHEMBL2059573)
Show SMILES [O-][N+](=O)c1ccc(CN(CC2CCN(C2)C(=O)Nc2ccccc2)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C24H25ClN4O3S/c25-20-8-6-18(7-9-20)14-27(17-22-10-11-23(33-22)29(31)32)15-19-12-13-28(16-19)24(30)26-21-4-2-1-3-5-21/h1-11,19H,12-17H2,(H,26,30)
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n/an/an/an/a 620n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.126
BindingDB Entry DOI: 10.7270/Q2D21ZPZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383680
PNG
(CHEMBL2030079)
Show SMILES COc1cccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)c1
Show InChI InChI=1S/C28H25NO3/c1-31-24-12-7-13-25(17-24)32-19-23-16-21-9-2-3-10-22(21)18-29(23)28(30)27-15-6-11-20-8-4-5-14-26(20)27/h2-15,17,23H,16,18-19H2,1H3
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n/an/an/an/a 620n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388650
PNG
(CHEMBL2059699)
Show SMILES [O-][N+](=O)c1ccc(CN(CC2CCN(C2)S(=O)(=O)Cc2ccccc2)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C24H26ClN3O4S2/c25-22-8-6-19(7-9-22)14-26(17-23-10-11-24(33-23)28(29)30)15-21-12-13-27(16-21)34(31,32)18-20-4-2-1-3-5-20/h1-11,21H,12-18H2
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n/an/an/an/a 630n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.126
BindingDB Entry DOI: 10.7270/Q2D21ZPZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434044
PNG
(CHEMBL2381194)
Show SMILES Fc1ccc(F)c(CN(Cc2ccc(s2)C#N)Cc2cccnc2)c1
Show InChI InChI=1S/C19H15F2N3S/c20-16-3-6-19(21)15(8-16)12-24(11-14-2-1-7-23-10-14)13-18-5-4-17(9-22)25-18/h1-8,10H,11-13H2
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n/an/an/an/a 630n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434023
PNG
(CHEMBL2380321)
Show SMILES COc1ccc(CN(Cc2ccc(s2)C#N)Cc2cccnc2)cc1
Show InChI InChI=1S/C20H19N3OS/c1-24-18-6-4-16(5-7-18)13-23(14-17-3-2-10-22-12-17)15-20-9-8-19(11-21)25-20/h2-10,12H,13-15H2,1H3
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n/an/an/an/a 630n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50434028
PNG
(CHEMBL2381211)
Show SMILES Clc1ccc(CN(Cc2sccc2-n2cccc2)Cc2cccnc2)cc1
Show InChI InChI=1S/C22H20ClN3S/c23-20-7-5-18(6-8-20)15-25(16-19-4-3-10-24-14-19)17-22-21(9-13-27-22)26-11-1-2-12-26/h1-14H,15-17H2
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n/an/an/an/a 630n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at biotinylated REV-ERBalpha (unknown origin) assessed as increase in biotinylated NCOR peptide recruitment after 1 hr by FRET assay


J Med Chem 56: 4729-37 (2013)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383672
PNG
(CHEMBL2030071)
Show SMILES O=C(N1Cc2ccccc2CC1COc1ccc(cc1)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C33H27NO2/c35-33(32-16-8-14-26-11-6-7-15-31(26)32)34-22-28-13-5-4-12-27(28)21-29(34)23-36-30-19-17-25(18-20-30)24-9-2-1-3-10-24/h1-20,29H,21-23H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383661
PNG
(CHEMBL2030064)
Show SMILES O=C(N1Cc2ccccc2CC1COCc1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C28H25NO2/c30-28(27-16-8-14-22-11-6-7-15-26(22)27)29-18-24-13-5-4-12-23(24)17-25(29)20-31-19-21-9-2-1-3-10-21/h1-16,25H,17-20H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388647
PNG
(CHEMBL2059574)
Show SMILES CCCCNC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C22H29ClN4O3S/c1-2-3-11-24-22(28)26-12-10-18(15-26)14-25(13-17-4-6-19(23)7-5-17)16-20-8-9-21(31-20)27(29)30/h4-9,18H,2-3,10-16H2,1H3,(H,24,28)
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n/an/an/an/a 670n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.126
BindingDB Entry DOI: 10.7270/Q2D21ZPZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388645
PNG
(CHEMBL2059572)
Show SMILES [O-][N+](=O)c1ccc(CN(CC2CCN(C2)C(=O)OCC=C)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C21H24ClN3O4S/c1-2-11-29-21(26)24-10-9-17(14-24)13-23(12-16-3-5-18(22)6-4-16)15-19-7-8-20(30-19)25(27)28/h2-8,17H,1,9-15H2
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.126
BindingDB Entry DOI: 10.7270/Q2D21ZPZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50366238
PNG
(CHEMBL1961796)
Show SMILES CCOC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C20H24ClN3O4S/c1-2-28-20(25)23-10-9-16(13-23)12-22(11-15-3-5-17(21)6-4-15)14-18-7-8-19(29-18)24(26)27/h3-8,16H,2,9-14H2,1H3
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The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.126
BindingDB Entry DOI: 10.7270/Q2D21ZPZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383683
PNG
(CHEMBL2030082)
Show SMILES Fc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)c(F)c1
Show InChI InChI=1S/C27H21F2NO2/c28-21-12-13-26(25(29)15-21)32-17-22-14-19-7-1-2-8-20(19)16-30(22)27(31)24-11-5-9-18-6-3-4-10-23(18)24/h1-13,15,22H,14,16-17H2
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n/an/an/an/a 710n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383681
PNG
(CHEMBL2030080)
Show SMILES CN(C)c1cccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)c1
Show InChI InChI=1S/C29H28N2O2/c1-30(2)24-13-8-14-26(18-24)33-20-25-17-22-10-3-4-11-23(22)19-31(25)29(32)28-16-7-12-21-9-5-6-15-27(21)28/h3-16,18,25H,17,19-20H2,1-2H3
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n/an/an/an/a 780n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388632
PNG
(CHEMBL2059549)
Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H22N2O6S2/c1-21(2,3)29-20(24)14-22(13-16-11-12-19(30-16)23(25)26)31(27,28)18-10-6-8-15-7-4-5-9-17(15)18/h4-12H,13-14H2,1-3H3
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n/an/an/an/a 800n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.126
BindingDB Entry DOI: 10.7270/Q2D21ZPZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383671
PNG
(CHEMBL2030070)
Show SMILES Fc1ccc(OCC2Cc3ccccc3CN2C(=O)c2cccc3ccccc23)cc1
Show InChI InChI=1S/C27H22FNO2/c28-22-12-14-24(15-13-22)31-18-23-16-20-7-1-2-8-21(20)17-29(23)27(30)26-11-5-9-19-6-3-4-10-25(19)26/h1-15,23H,16-18H2
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n/an/an/an/a 800n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383668
PNG
(CHEMBL2029898)
Show SMILES O=C(N1Cc2ccccc2CC1COc1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C27H23NO2/c29-27(26-16-8-12-20-9-6-7-15-25(20)26)28-18-22-11-5-4-10-21(22)17-23(28)19-30-24-13-2-1-3-14-24/h1-16,23H,17-19H2
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n/an/an/an/a 840n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383666
PNG
(CHEMBL2029886)
Show SMILES CCOC(=O)C1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C19H21NO4S/c1-3-24-19(21)18-12-15-6-4-5-7-16(15)13-20(18)25(22,23)17-10-8-14(2)9-11-17/h4-11,18H,3,12-13H2,1-2H3
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n/an/an/an/a 1.10E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383669
PNG
(CHEMBL2030065)
Show SMILES O=C(N1Cc2ccccc2CC1COc1cccc2ccccc12)c1cccc2ccccc12
Show InChI InChI=1S/C31H25NO2/c33-31(29-17-7-13-22-9-3-5-15-27(22)29)32-20-25-12-2-1-11-24(25)19-26(32)21-34-30-18-8-14-23-10-4-6-16-28(23)30/h1-18,26H,19-21H2
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n/an/an/an/a 1.20E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388653
PNG
(CHEMBL2059570)
Show SMILES CC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C19H22ClN3O3S/c1-14(24)22-9-8-16(12-22)11-21(10-15-2-4-17(20)5-3-15)13-18-6-7-19(27-18)23(25)26/h2-7,16H,8-13H2,1H3
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n/an/an/an/a 1.60E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.126
BindingDB Entry DOI: 10.7270/Q2D21ZPZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50388644
PNG
(CHEMBL2059567)
Show SMILES CC(C)(C)OC(=O)N1CCC(C1)N(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN3O4S/c1-21(2,3)29-20(26)23-11-10-17(13-23)24(12-15-4-6-16(22)7-5-15)14-18-8-9-19(30-18)25(27)28/h4-9,17H,10-14H2,1-3H3
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n/an/an/an/a 1.60E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing BamII promoter assessed as repression of transcription after 24 hrs by dual-G...


Bioorg Med Chem Lett 22: 4413-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.126
BindingDB Entry DOI: 10.7270/Q2D21ZPZ
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 1


(Homo sapiens)
BDBM50383665
PNG
(CHEMBL2029885)
Show SMILES CCOC(=O)C1Cc2ccccc2CN1S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H21NO4S/c1-2-27-22(24)20-14-17-9-3-4-10-18(17)15-23(20)28(25,26)21-13-7-11-16-8-5-6-12-19(16)21/h3-13,20H,2,14-15H2,1H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-erbalpha assessed as repression of transcription by luciferase-reporter gene assay


Bioorg Med Chem Lett 22: 3739-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.023
BindingDB Entry DOI: 10.7270/Q2CN74ZF
More data for this
Ligand-Target Pair
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