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8 similar compounds to monomer 50388635

Wt: 354.8
BDBM50388633
Wt: 339.7
BDBM50388634
Wt: 422.9
BDBM50388636
Wt: 440.8
BDBM50388637
Wt: 372.8
BDBM50434025
Wt: 421.3
BDBM50434026
Wt: 390.8
BDBM50434038
Wt: 352.8
BDBM50434041

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50388633,50388634,50388636,50388637,50434025,50434026,50434038,50434041   
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)
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)

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)

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)

More data for this
Ligand-Target Pair
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)

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


(Homo sapiens (human))
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/a>1.00E+5n/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)
BDBM50388637
PNG
(CHEMBL2059555)
Show SMILES [O-][N+](=O)c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C20H16ClF3N2O2S/c21-17-7-3-15(4-8-17)12-25(13-18-9-10-19(29-18)26(27)28)11-14-1-5-16(6-2-14)20(22,23)24/h1-10H,11-13H2
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n/an/an/an/a 5.50E+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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
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/a 2.00E+4n/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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
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/a 1.60E+4n/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)
BDBM50388633
PNG
(CHEMBL2059550)
Show SMILES COC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C15H15ClN2O4S/c1-22-15(19)10-17(8-11-2-4-12(16)5-3-11)9-13-6-7-14(23-13)18(20)21/h2-7H,8-10H2,1H3
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n/an/an/an/a 3.90E+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)
BDBM50388634
PNG
(CHEMBL2059552)
Show SMILES NC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H14ClN3O3S/c15-11-3-1-10(2-4-11)7-17(9-13(16)19)8-12-5-6-14(22-12)18(20)21/h1-6H,7-9H2,(H2,16,19)
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n/an/an/an/a 3.00E+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)
BDBM50388636
PNG
(CHEMBL2059554)
Show SMILES [O-][N+](=O)c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc3ccccc3c2)s1
Show InChI InChI=1S/C23H19ClN2O2S/c24-21-9-6-17(7-10-21)14-25(16-22-11-12-23(29-22)26(27)28)15-18-5-8-19-3-1-2-4-20(19)13-18/h1-13H,14-16H2
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n/an/an/an/a 8.80E+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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
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/a 6.30E+4n/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