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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 = 'BDBM50218486'   
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))
BDBM50218486
PNG
(4-[2-(3-butyl-ureido)-5,7,7,10,10-pentamethyl-7,8,...)
Show SMILES CCCCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:21|
Show InChI InChI=1S/C34H40N4O3/c1-7-8-17-35-32(41)36-23-13-14-28-27(18-23)37-30(21-9-11-22(12-10-21)31(39)40)24-19-25-26(20-29(24)38(28)6)34(4,5)16-15-33(25,2)3/h9-14,18-20H,7-8,15-17H2,1-6H3,(H,39,40)(H2,35,36,41)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of 9-cis-retinoic acid-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50218486
PNG
(4-[2-(3-butyl-ureido)-5,7,7,10,10-pentamethyl-7,8,...)
Show SMILES CCCCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:21|
Show InChI InChI=1S/C34H40N4O3/c1-7-8-17-35-32(41)36-23-13-14-28-27(18-23)37-30(21-9-11-22(12-10-21)31(39)40)24-19-25-26(20-29(24)38(28)6)34(4,5)16-15-33(25,2)3/h9-14,18-20H,7-8,15-17H2,1-6H3,(H,39,40)(H2,35,36,41)
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 3.40E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human RXRalpha expressed in EK293 cells assessed as inhibition of LG100268-induced transactivation


Bioorg Med Chem Lett 17: 4808-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.079
BindingDB Entry DOI: 10.7270/Q2V40TWB
More data for this
Ligand-Target Pair