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BDBM35094 biarylether alcohol quinoline, 5f

InChI string: InChI=1S/C24H18F3NO2/c1-15-13-28-23-20(9-4-10-21(23)24(25,26)27)22(15)17-6-3-8-19(12-17)30-18-7-2-5-16(11-18)14-29/h2-13,29H,14H2,1H3

SMILES: Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(CO)c2)c1)C(F)(F)F

InChI Key: InChIKey=CQEKMSRTDPXHST-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 35094   
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 beta (LXR-beta)


(Homo sapiens (human))
BDBM35094
PNG
(biarylether alcohol quinoline, 5f)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(CO)c2)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2/c1-15-13-28-23-20(9-4-10-21(23)24(25,26)27)22(15)17-6-3-8-19(12-17)30-18-7-2-5-16(11-18)14-29/h2-13,29H,14H2,1H3
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 2.10n/a 233n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Liver X receptor beta (LXRB)


(Homo sapiens (Human))
BDBM35094
PNG
(biarylether alcohol quinoline, 5f)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(CO)c2)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2/c1-15-13-28-23-20(9-4-10-21(23)24(25,26)27)22(15)17-6-3-8-19(12-17)30-18-7-2-5-16(11-18)14-29/h2-13,29H,14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRbeta-LBD


Citation and Details
More data for this
Ligand-Target Pair
LXR-alpha


(Homo sapiens (human))
BDBM35094
PNG
(biarylether alcohol quinoline, 5f)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(CO)c2)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2/c1-15-13-28-23-20(9-4-10-21(23)24(25,26)27)22(15)17-6-3-8-19(12-17)30-18-7-2-5-16(11-18)14-29/h2-13,29H,14H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant LXRalpha-LBD


Citation and Details
More data for this
Ligand-Target Pair
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM35094
PNG
(biarylether alcohol quinoline, 5f)
Show SMILES Cc1cnc2c(cccc2c1-c1cccc(Oc2cccc(CO)c2)c1)C(F)(F)F
Show InChI InChI=1S/C24H18F3NO2/c1-15-13-28-23-20(9-4-10-21(23)24(25,26)27)22(15)17-6-3-8-19(12-17)30-18-7-2-5-16(11-18)14-29/h2-13,29H,14H2,1H3
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 10.2n/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...


Citation and Details
More data for this
Ligand-Target Pair