BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50530499'   
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))
BDBM50530499
PNG
(CHEMBL4449685)
Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
230n/an/an/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Displacement of 9-cis-[11,12-3H]-retinoic acid from human RXRalpha LBD incubated for overnight by scintillation counting method


J Med Chem 62: 8809-8818 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00995
BindingDB Entry DOI: 10.7270/Q2G44TRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50530499
PNG
(CHEMBL4449685)
Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
230n/an/an/an/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Displacement of 9-cis-[11,12-3H]-retinoic acid from human RXRalpha LBD incubated for overnight by scintillation counting method


J Med Chem 62: 8809-8818 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00995
BindingDB Entry DOI: 10.7270/Q2G44TRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50530499
PNG
(CHEMBL4449685)
Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
n/an/an/a 1.11E+3n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50530499
PNG
(CHEMBL4449685)
Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha LBD expressed in African green monkey COS1 cells incubated for 24 hrs by luciferase reporter gene assay


J Med Chem 62: 8809-8818 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00995
BindingDB Entry DOI: 10.7270/Q2G44TRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50530499
PNG
(CHEMBL4449685)
Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
n/an/an/a 1.32E+4n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50530499
PNG
(CHEMBL4449685)
Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 233n/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human RXRalpha LBD incubated for 2 hrs by fluorescence based assay


J Med Chem 62: 8809-8818 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00995
BindingDB Entry DOI: 10.7270/Q2G44TRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50530499
PNG
(CHEMBL4449685)
Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Agonist activity at human RXRalpha LBD expressed in African green monkey COS1 cells incubated for 24 hrs by luciferase reporter gene assay


J Med Chem 62: 8809-8818 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00995
BindingDB Entry DOI: 10.7270/Q2G44TRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50530499
PNG
(CHEMBL4449685)
Show SMILES Cc1cc2c(cc1-c1cc3cc(C(O)=O)c(=O)oc3cc1O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C25H26O5/c1-13-8-18-19(25(4,5)7-6-24(18,2)3)11-15(13)16-9-14-10-17(22(27)28)23(29)30-21(14)12-20(16)26/h8-12,26H,6-7H2,1-5H3,(H,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 233n/an/an/an/an/a



Okayama University Graduate School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human RXRalpha LBD incubated for 2 hrs by fluorescence based assay


J Med Chem 62: 8809-8818 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00995
BindingDB Entry DOI: 10.7270/Q2G44TRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)