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BDBM20003 2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}(methyl)amino)methyl]phenyl}acetic acid::Quinoline 18

InChI string: InChI=1S/C33H27F3N2O2/c1-38(21-24-15-13-23(14-16-24)18-30(39)40)27-10-5-9-25(19-27)31-26(17-22-7-3-2-4-8-22)20-37-32-28(31)11-6-12-29(32)33(34,35)36/h2-16,19-20H,17-18,21H2,1H3,(H,39,40)

SMILES: CN(Cc1ccc(CC(O)=O)cc1)c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F

InChI Key: InChIKey=TZRCVICHXMBFCB-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 = 20003   
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))
BDBM20003
PNG
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES CN(Cc1ccc(CC(O)=O)cc1)c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C33H27F3N2O2/c1-38(21-24-15-13-23(14-16-24)18-30(39)40)27-10-5-9-25(19-27)31-26(17-22-7-3-2-4-8-22)20-37-32-28(31)11-6-12-29(32)33(34,35)36/h2-16,19-20H,17-18,21H2,1H3,(H,39,40)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 115n/a 374n/an/a7.44



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...


J Med Chem 49: 6151-4 (2006)

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


(Homo sapiens (human))
BDBM20003
PNG
(2-{4-[({3-[3-benzyl-8-(trifluoromethyl)quinolin-4-...)
Show SMILES CN(Cc1ccc(CC(O)=O)cc1)c1cccc(c1)-c1c(Cc2ccccc2)cnc2c(cccc12)C(F)(F)F
Show InChI InChI=1S/C33H27F3N2O2/c1-38(21-24-15-13-23(14-16-24)18-30(39)40)27-10-5-9-25(19-27)31-26(17-22-7-3-2-4-8-22)20-37-32-28(31)11-6-12-29(32)33(34,35)36/h2-16,19-20H,17-18,21H2,1H3,(H,39,40)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 274n/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 LXR-coated flash plates. Each concentration of test...


J Med Chem 49: 6151-4 (2006)

More data for this
Ligand-Target Pair