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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM50172198'   
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-beta


(Homo sapiens (Human))
BDBM50172198
PNG
(2,6-dimethyl-(2S,6S,7R)-tricyclo[8.4.0.02,7]tetrad...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:28|
Show InChI InChI=1S/C30H35NO/c1-28-15-7-16-29(2,26(28)13-12-22-8-3-5-10-24(22)28)27(32)31-20-18-30(19-21-31)17-14-23-9-4-6-11-25(23)30/h3-6,8-11,14,17,26H,7,12-13,15-16,18-21H2,1-2H3/t26-,28-,29+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration in LXRSPA beta binding assay


Bioorg Med Chem Lett 15: 4574-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50172198
PNG
(2,6-dimethyl-(2S,6S,7R)-tricyclo[8.4.0.02,7]tetrad...)
Show SMILES C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccccc21)C(=O)N1CCC2(CC1)C=Cc1ccccc21 |c:28|
Show InChI InChI=1S/C30H35NO/c1-28-15-7-16-29(2,26(28)13-12-22-8-3-5-10-24(22)28)27(32)31-20-18-30(19-21-31)17-14-23-9-4-6-11-25(23)30/h3-6,8-11,14,17,26H,7,12-13,15-16,18-21H2,1-2H3/t26-,28-,29+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration in recombinant human LXRbeta ligand binding domain in homogeneous time-resolved fluorescence assay


Bioorg Med Chem Lett 15: 4574-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.100
BindingDB Entry DOI: 10.7270/Q2154GKK
More data for this
Ligand-Target Pair