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BDBM20000 2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxymethyl}phenyl)acetic acid::CHEMBL214719::JMC496151 Compound 15::WAY-254011

InChI string: InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)

SMILES: OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1

InChI Key: InChIKey=VXHRQVMQVYQGQG-UHFFFAOYSA-N

Data: 12 IC50  11 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 17 hits for monomerid = 20000   
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))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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Article
PubMed
n/an/a 2n/a 90n/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...


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


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha expressed in Huh7 cells by Gal4 transactivation assay


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


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 9.5n/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...


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


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 2.10n/a 71n/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...


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


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 2.10n/a 93n/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...


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


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 2.10n/a 71n/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 alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 9.5n/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
Liver X Receptor alpha (LXR-alpha)


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 9.5n/a 238n/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...


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


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 10n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRalpha


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/an/an/a 680n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARgamma


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


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/an/an/a 240n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human LXRalpha ligand binding domain (205-448) expressed in human HuH7 cells cotransfected with Gal4-DBD by luciferase transactiv...


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


(Homo sapiens (Human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant N-terminal biotinylated tagged LXRbeta ligand binding domain (154-461) expressed in Escherichia c...


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


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]T0901317 from human recombinant N-terminal biotinylated tagged LXRalpha ligand binding domain (197-447) expressed in Escherichia ...


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


(Homo sapiens (Human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/an/an/a 90n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta ligand binding domain (219-462) expressed in human HuH7 cells cotransfected with Gal4-DBD by luciferase transactiva...


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


(Homo sapiens (Human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at human LXRbeta


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


(Homo sapiens (Human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/an/an/a 90n/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at human LXRbeta expressed in Huh7 cells by Gal4 transactivation assay


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


(Homo sapiens (human))
BDBM20000
PNG
(2-(4-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl...)
Show SMILES OC(=O)Cc1ccc(COc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C32H24F3NO3/c33-32(34,35)28-11-5-10-27-30(25(19-36-31(27)28)16-21-6-2-1-3-7-21)24-8-4-9-26(18-24)39-20-23-14-12-22(13-15-23)17-29(37)38/h1-15,18-19H,16-17,20H2,(H,37,38)
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n/an/a 10n/a 240n/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...


Citation and Details
More data for this
Ligand-Target Pair