BindingDB logo
myBDB logout

BDBM35091 biarylether alcohol quinoline, 5d

InChI string: InChI=1S/C29H20F3NO2/c30-29(31,32)26-11-5-10-24-27(25(17-33-28(24)26)20-6-2-1-3-7-20)21-8-4-9-23(16-21)35-22-14-12-19(18-34)13-15-22/h1-17,34H,18H2

SMILES: OCc1ccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-c2ccccc2)cc1

InChI Key: InChIKey=KKPXMFGSPSGBQW-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 35091   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM35091
PNG
(biarylether alcohol quinoline, 5d)
Show SMILES OCc1ccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C29H20F3NO2/c30-29(31,32)26-11-5-10-24-27(25(17-33-28(24)26)20-6-2-1-3-7-20)21-8-4-9-23(16-21)35-22-14-12-19(18-34)13-15-22/h1-17,34H,18H2
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 107n/an/an/an/a7.44



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)

More data for this
Ligand-Target Pair
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM35091
PNG
(biarylether alcohol quinoline, 5d)
Show SMILES OCc1ccc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)-c2ccccc2)cc1
Show InChI InChI=1S/C29H20F3NO2/c30-29(31,32)26-11-5-10-24-27(25(17-33-28(24)26)20-6-2-1-3-7-20)21-8-4-9-23(16-21)35-22-14-12-19(18-34)13-15-22/h1-17,34H,18H2
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 10n/a 646n/an/a7.44



Wyeth Research



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


Bioorg Med Chem 17: 8086-92 (2009)

More data for this
Ligand-Target Pair