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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha' and Ligand = 'BDBM50218430'   
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))
BDBM50218430
PNG
(4-(5,7,7,10,10-pentamethyl-2-methylsulfanyl-7,8,9,...)
Show SMILES CSc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:15|
Show InChI InChI=1S/C30H32N2O2S/c1-29(2)13-14-30(3,4)23-17-26-21(16-22(23)29)27(18-7-9-19(10-8-18)28(33)34)31-24-15-20(35-6)11-12-25(24)32(26)5/h7-12,15-17H,13-14H2,1-6H3,(H,33,34)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of 9-cis-retinoic acid-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218430
PNG
(4-(5,7,7,10,10-pentamethyl-2-methylsulfanyl-7,8,9,...)
Show SMILES CSc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:15|
Show InChI InChI=1S/C30H32N2O2S/c1-29(2)13-14-30(3,4)23-17-26-21(16-22(23)29)27(18-7-9-19(10-8-18)28(33)34)31-24-15-20(35-6)11-12-25(24)32(26)5/h7-12,15-17H,13-14H2,1-6H3,(H,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LG100268-induced RXRalpha transactivation


Bioorg Med Chem Lett 17: 4804-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.080
BindingDB Entry DOI: 10.7270/Q2ZS2W7W
More data for this
Ligand-Target Pair