BindingDB logo
myBDB logout

BDBM19995 4-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenoxymethyl}benzoic acid::Quinoline 10

InChI string: InChI=1S/C31H20F3NO4/c32-31(33,34)26-11-5-10-24-27(25(17-35-28(24)26)29(36)20-6-2-1-3-7-20)22-8-4-9-23(16-22)39-18-19-12-14-21(15-13-19)30(37)38/h1-17H,18H2,(H,37,38)

SMILES: OC(=O)c1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1

InChI Key: InChIKey=NDCQPJCNZBQYAO-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 = 19995   
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))
BDBM19995
PNG
(4-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]p...)
Show SMILES OC(=O)c1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H20F3NO4/c32-31(33,34)26-11-5-10-24-27(25(17-35-28(24)26)29(36)20-6-2-1-3-7-20)22-8-4-9-23(16-22)39-18-19-12-14-21(15-13-19)30(37)38/h1-17H,18H2,(H,37,38)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 130n/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
Liver X Receptor beta (LXR-beta)


(Homo sapiens (human))
BDBM19995
PNG
(4-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]p...)
Show SMILES OC(=O)c1ccc(COc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H20F3NO4/c32-31(33,34)26-11-5-10-24-27(25(17-35-28(24)26)29(36)20-6-2-1-3-7-20)22-8-4-9-23(16-22)39-18-19-12-14-21(15-13-19)30(37)38/h1-17H,18H2,(H,37,38)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 67n/a 186n/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