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4 similar compounds to monomer 50388627

Wt: 396.8
BDBM50383684
Purchase
Wt: 380.4
BDBM50388628
Wt: 412.5
BDBM50388629
Wt: 407.4
BDBM50388652

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50383684,50388628,50388629,50388652   
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
Liver X receptor (LXR alpha AND LXR beta)


(Homo sapiens (human))
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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MMDB

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n/an/a 5.00E+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)
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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n/an/an/an/a 500n/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)
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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n/an/an/an/a 2.30E+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)

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


(Homo sapiens)
BDBM50388652
PNG
(CHEMBL2059541)
Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C18H21N3O6S/c1-18(2,3)27-17(22)12-19(11-15-8-9-16(28-15)21(25)26)10-13-4-6-14(7-5-13)20(23)24/h4-9H,10-12H2,1-3H3
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n/an/an/an/a 2.50E+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
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
PDB
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PC sid
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PubMed
n/an/an/an/a 2.30E+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)
BDBM50388628
PNG
(CHEMBL2059544)
Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C18H21FN2O4S/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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n/an/an/an/a 2.00E+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)
BDBM50388629
PNG
(CHEMBL2059545)
Show SMILES CC(C)(C)OC(=O)CN(Cc1ccc(s1)[N+]([O-])=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C22H24N2O4S/c1-22(2,3)28-21(25)15-23(14-18-11-12-20(29-18)24(26)27)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-12H,13-15H2,1-3H3
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n/an/an/an/a 2.50E+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
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
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 400n/an/an/an/a



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)

More data for this
Ligand-Target Pair