BindingDB logo
myBDB logout

PubMed code 23656296

Compile data set for download or QSAR
Found 51 hits of Enzyme Inhibition Constant Data   
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
Oxysterols receptor LXR-alpha


(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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50366239
PNG
(CHEMBL1961797)
Show SMILES CCCCCNC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50434032
PNG
(CHEMBL2381195)
Show SMILES Fc1ccccc1CN(Cc1ccc(s1)C#N)Cc1cccnc1
Show InChI InChI=1S/C19H16FN3S/c20-19-6-2-1-5-16(19)13-23(12-15-4-3-9-22-11-15)14-18-8-7-17(10-21)24-18/h1-9,11H,12-14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.00E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50434027
PNG
(CHEMBL2381212)
Show SMILES Clc1ccc(CN(Cc2nccs2)Cc2cccnc2)cc1
Show InChI InChI=1S/C17H16ClN3S/c18-16-5-3-14(4-6-16)11-21(13-17-20-8-9-22-17)12-15-2-1-7-19-10-15/h1-10H,11-13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50434024
PNG
(CHEMBL2381213)
Show SMILES Clc1ccc(CN(Cc2ncc[nH]2)Cc2cccnc2)cc1
Show InChI InChI=1S/C17H17ClN4/c18-16-5-3-14(4-6-16)11-22(13-17-20-8-9-21-17)12-15-2-1-7-19-10-15/h1-10H,11-13H2,(H,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 (Human))
BDBM50366239
PNG
(CHEMBL1961797)
Show SMILES CCCCCNC(=O)N1CCC(CN(Cc2ccc(s2)[N+]([O-])=O)Cc2ccc(Cl)cc2)C1
Show InChI InChI=1S/C23H31ClN4O3S/c1-2-3-4-12-25-23(29)27-13-11-19(16-27)15-26(14-18-5-7-20(24)8-6-18)17-21-9-10-22(32-21)28(30)31/h5-10,19H,2-4,11-17H2,1H3,(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
BDBM50434032
PNG
(CHEMBL2381195)
Show SMILES Fc1ccccc1CN(Cc1ccc(s1)C#N)Cc1cccnc1
Show InChI InChI=1S/C19H16FN3S/c20-19-6-2-1-5-16(19)13-23(12-15-4-3-9-22-11-15)14-18-8-7-17(10-21)24-18/h1-9,11H,12-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


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 (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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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 (Human))
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 (Human))
BDBM50434024
PNG
(CHEMBL2381213)
Show SMILES Clc1ccc(CN(Cc2ncc[nH]2)Cc2cccnc2)cc1
Show InChI InChI=1S/C17H17ClN4/c18-16-5-3-14(4-6-16)11-22(13-17-20-8-9-21-17)12-15-2-1-7-19-10-15/h1-10H,11-13H2,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


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 (Human))
BDBM50434027
PNG
(CHEMBL2381212)
Show SMILES Clc1ccc(CN(Cc2nccs2)Cc2cccnc2)cc1
Show InChI InChI=1S/C17H16ClN3S/c18-16-5-3-14(4-6-16)11-21(13-17-20-8-9-22-17)12-15-2-1-7-19-10-15/h1-10H,11-13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)


Article DOI: 10.1021/jm400458q
BindingDB Entry DOI: 10.7270/Q20Z74PJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%