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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-beta' and Ligand = 'BDBM50179485'   
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))
BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 58n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 7n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50179485
PNG
(CHEMBL3814799)
Show SMILES CCCc1cc(ccc1Oc1ccc(C(=O)CN2C(=O)NC(C)(C2=O)c2ccc(OC(C)C)cn2)c(O)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O7/c1-5-6-18-13-19(30(46,31(33,34)35)32(36,37)38)7-11-25(18)48-20-8-10-22(23(42)14-20)24(43)16-41-27(44)29(4,40-28(41)45)26-12-9-21(15-39-26)47-17(2)3/h7-15,17,42,46H,5-6,16H2,1-4H3,(H,40,45)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 58n/an/an/an/a



Kowa Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 fused LXRbeta-LBD (unknown origin) transfected in CHOK1 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 24: 3436-46 (2016)


Article DOI: 10.1016/j.bmc.2016.05.048
BindingDB Entry DOI: 10.7270/Q2DJ5HJ4
More data for this
Ligand-Target Pair