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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Oxysterols receptor LXR-alpha [197-447]' and Ligand = 'BDBM35087'   
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-alpha [197-447]


(Homo sapiens (Human))
BDBM35087
PNG
(BMC171663 Compound 4a | Benzylquinoline, 8a)
Show SMILES COC(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C31H22F3NO3/c1-37-30(36)22-11-6-13-25(18-22)38-24-12-5-10-21(17-24)28-23(16-20-8-3-2-4-9-20)19-35-29-26(28)14-7-15-27(29)31(32,33)34/h2-15,17-19H,16H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 231n/an/an/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXR-coated flash plates. Each concentration of test...


Bioorg Med Chem 17: 1663-70 (2009)


Article DOI: 10.1016/j.bmc.2008.12.048
BindingDB Entry DOI: 10.7270/Q2QR4VGV
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha [197-447]


(Homo sapiens (Human))
BDBM35087
PNG
(BMC171663 Compound 4a | Benzylquinoline, 8a)
Show SMILES COC(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
Show InChI InChI=1S/C31H22F3NO3/c1-37-30(36)22-11-6-13-25(18-22)38-24-12-5-10-21(17-24)28-23(16-20-8-3-2-4-9-20)19-35-29-26(28)14-7-15-27(29)31(32,33)34/h2-15,17-19H,16H2,1H3
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 231n/an/an/an/an/an/a



Wyeth Research



Assay Description
Binding reaction was initiated by adding a dilution series of test compound in tracer solution to LXRalpha coated flash plates. Each concentration of...


Bioorg Med Chem 17: 8086-92 (2009)


Article DOI: 10.1016/j.bmc.2009.10.001
BindingDB Entry DOI: 10.7270/Q2VH5M54
More data for this
Ligand-Target Pair