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BDBM20008 2-{4-[({3-[3-cyano-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}acetic acid::phenyl acetic acid based quinoline, 20

InChI string: InChI=1S/C26H18F3N3O2/c27-26(28,29)22-6-2-5-21-24(19(13-30)15-32-25(21)22)18-3-1-4-20(12-18)31-14-17-9-7-16(8-10-17)11-23(33)34/h1-10,12,15,31H,11,14H2,(H,33,34)

SMILES: OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C#N)cc1

InChI Key: InChIKey=YNYIBKWUFCUQQY-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 20008   
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))
BDBM20008
PNG
(2-{4-[({3-[3-cyano-8-(trifluoromethyl)quinolin-4-y...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C#N)cc1
Show InChI InChI=1S/C26H18F3N3O2/c27-26(28,29)22-6-2-5-21-24(19(13-30)15-32-25(21)22)18-3-1-4-20(12-18)31-14-17-9-7-16(8-10-17)11-23(33)34/h1-10,12,15,31H,11,14H2,(H,33,34)
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 33.8n/a 450n/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 alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20008
PNG
(2-{4-[({3-[3-cyano-8-(trifluoromethyl)quinolin-4-y...)
Show SMILES OC(=O)Cc1ccc(CNc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C#N)cc1
Show InChI InChI=1S/C26H18F3N3O2/c27-26(28,29)22-6-2-5-21-24(19(13-30)15-32-25(21)22)18-3-1-4-20(12-18)31-14-17-9-7-16(8-10-17)11-23(33)34/h1-10,12,15,31H,11,14H2,(H,33,34)
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 150n/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