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5 similar compounds to monomer 50388641

Wt: 437.9
BDBM50366238
Purchase
Wt: 451.9
BDBM50388644
Wt: 449.9
BDBM50388645
Wt: 465.0
BDBM50388647
Wt: 407.9
BDBM50388653

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50366238,50388644,50388645,50388647,50388653   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
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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n/an/a 670n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Increased REV-ERB-alpha LBD dependent repressor activity in HEK293 cell reporter assay


Nature 485: 62-68 (2012)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group D member 2


(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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n/an/a 800n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Increased REV-ERB-beta LBD dependent repressor activity in HEK293 cell reporter assay


Nature 485: 62-68 (2012)

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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n/an/a 710n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
REV-ERB-alpha mediated transcriptional suppression at Bmal1 promoter in HEK293 cell reporter assay


Nature 485: 62-68 (2012)

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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n/an/an/a 800n/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Dissociation constant for binding to REV-ERB-alpha by circular dichroism


Nature 485: 62-68 (2012)

More data for this
Ligand-Target Pair
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
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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n/an/a 6.30E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to LXRalpha (unknown origin) by radioligand displacement assay


J Med Chem 56: 4729-37 (2013)

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)

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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n/an/a 670n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at Rev-Erbalpha expressed in HEK293 cells coexpressing Gal4 ligand binding domain assessed as inhibition of transcription after 24 h...


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

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)

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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n/an/an/an/a 700n/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)

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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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)

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)

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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n/an/an/an/a>5.00E+4n/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)

More data for this
Ligand-Target Pair