new BindingDB logo
myBDB logout

PubMed code 22712432

Compile data set for download or QSAR
Found 5 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
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50396234
PNG
(CHEMBL2172214 | US9402842, 57)
Show SMILES CC(=O)Nc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C21H19N3O3/c1-12(25)23-13-7-8-14-17(11-13)21(27)24(10-4-9-22)19-15-5-2-3-6-16(15)20(26)18(14)19/h2-3,5-8,11H,4,9-10,22H2,1H3,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>4.14E+4n/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha expressed in african green monkey COS1 cells assessed as induction of RXRE transcriptional activity after 12 hrs b...


J Med Chem 55: 5965-81 (2012)


Article DOI: 10.1021/jm3006806
BindingDB Entry DOI: 10.7270/Q2QR4Z7Z
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50396236
PNG
(CHEMBL2172210)
Show SMILES CNCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22-9-4-10-23-18-14-5-2-3-6-15(14)19(24)17(18)13-8-7-12(21)11-16(13)20(23)25/h2-3,5-8,11,22H,4,9-10,21H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.96E+3n/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha expressed in african green monkey COS1 cells assessed as induction of RXRE transcriptional activity after 12 hrs b...


J Med Chem 55: 5965-81 (2012)


Article DOI: 10.1021/jm3006806
BindingDB Entry DOI: 10.7270/Q2QR4Z7Z
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50396235
PNG
(CHEMBL2172299)
Show SMILES CC(=O)NCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O
Show InChI InChI=1S/C21H19N3O3/c1-12(25)23-9-4-10-24-19-15-5-2-3-6-16(15)20(26)18(19)14-8-7-13(22)11-17(14)21(24)27/h2-3,5-8,11H,4,9-10,22H2,1H3,(H,23,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.09E+4n/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha expressed in african green monkey COS1 cells assessed as induction of RXRE transcriptional activity after 12 hrs b...


J Med Chem 55: 5965-81 (2012)


Article DOI: 10.1021/jm3006806
BindingDB Entry DOI: 10.7270/Q2QR4Z7Z
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50396238
PNG
(CHEMBL2172212 | US9402842, 62)
Show SMILES NCCCn1c2-c3ccccc3C(=O)c2c2ccc(N)cc2c1=O
Show InChI InChI=1S/C19H17N3O2/c20-8-3-9-22-17-13-4-1-2-5-14(13)18(23)16(17)12-7-6-11(21)10-15(12)19(22)24/h1-2,4-7,10H,3,8-9,20-21H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.37E+3n/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha expressed in african green monkey COS1 cells assessed as induction of RXRE transcriptional activity after 12 hrs b...


J Med Chem 55: 5965-81 (2012)


Article DOI: 10.1021/jm3006806
BindingDB Entry DOI: 10.7270/Q2QR4Z7Z
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50396237
PNG
(CHEMBL2172208)
Show SMILES CNc1ccc2c3C(=O)c4ccccc4-c3n(CCCN)c(=O)c2c1
Show InChI InChI=1S/C20H19N3O2/c1-22-12-7-8-13-16(11-12)20(25)23(10-4-9-21)18-14-5-2-3-6-15(14)19(24)17(13)18/h2-3,5-8,11,22H,4,9-10,21H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7.65E+3n/an/an/an/a



The University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha expressed in african green monkey COS1 cells assessed as induction of RXRE transcriptional activity after 12 hrs b...


J Med Chem 55: 5965-81 (2012)


Article DOI: 10.1021/jm3006806
BindingDB Entry DOI: 10.7270/Q2QR4Z7Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%