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BDBM20022 2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}-2-hydroxyacetic acid::phenyl acetic acid based quinoline, 34

InChI string: InChI=1S/C32H23F3N2O4/c33-32(34,35)26-11-5-10-24-27(25(18-37-28(24)26)29(38)20-6-2-1-3-7-20)22-8-4-9-23(16-22)36-17-19-12-14-21(15-13-19)30(39)31(40)41/h1-16,18,30,36,39H,17H2,(H,40,41)

SMILES: OC(C(O)=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1

InChI Key: InChIKey=JLWYCHMJOLWTSZ-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 = 20022   
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))
BDBM20022
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES OC(C(O)=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H23F3N2O4/c33-32(34,35)26-11-5-10-24-27(25(18-37-28(24)26)29(38)20-6-2-1-3-7-20)22-8-4-9-23(16-22)36-17-19-12-14-21(15-13-19)30(39)31(40)41/h1-16,18,30,36,39H,17H2,(H,40,41)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 33.6n/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...


Bioorg Med Chem 15: 3321-33 (2007)

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


(Homo sapiens (human))
BDBM20022
PNG
(2-{4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4...)
Show SMILES OC(C(O)=O)c1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C32H23F3N2O4/c33-32(34,35)26-11-5-10-24-27(25(18-37-28(24)26)29(38)20-6-2-1-3-7-20)22-8-4-9-23(16-22)36-17-19-12-14-21(15-13-19)30(39)31(40)41/h1-16,18,30,36,39H,17H2,(H,40,41)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 8.5n/a 4.00E+3n/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...


Bioorg Med Chem 15: 3321-33 (2007)

More data for this
Ligand-Target Pair