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BDBM50294743 CHEMBL550035::[3-(3-Benzyl-8-chlorocinnolin-4-yl)phenyl][2-chloro-3-(trifluoromethyl)benzyl]amine

SMILES: FC(F)(F)c1cccc(CNc2cccc(c2)-c2c(Cc3ccccc3)nnc3c(Cl)cccc23)c1Cl

InChI Key: InChIKey=XHUGCOUNHPKMDJ-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 50294743   
Target/Host
(Institution)
LigandTarget/Host
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
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50294743
PNG
(CHEMBL550035 | [3-(3-Benzyl-8-chlorocinnolin-4-yl)...)
Show SMILES FC(F)(F)c1cccc(CNc2cccc(c2)-c2c(Cc3ccccc3)nnc3c(Cl)cccc23)c1Cl
Show InChI InChI=1S/C29H20Cl2F3N3/c30-24-14-6-12-22-26(25(36-37-28(22)24)15-18-7-2-1-3-8-18)19-9-4-11-21(16-19)35-17-20-10-5-13-23(27(20)31)29(32,33)34/h1-14,16,35H,15,17H2
UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/an/an/a 3.63E+3n/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...


Bioorg Med Chem 17: 3519-27 (2009)


Article DOI: 10.1016/j.bmc.2009.04.012
BindingDB Entry DOI: 10.7270/Q2T72HH5
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50294743
PNG
(CHEMBL550035 | [3-(3-Benzyl-8-chlorocinnolin-4-yl)...)
Show SMILES FC(F)(F)c1cccc(CNc2cccc(c2)-c2c(Cc3ccccc3)nnc3c(Cl)cccc23)c1Cl
Show InChI InChI=1S/C29H20Cl2F3N3/c30-24-14-6-12-22-26(25(36-37-28(22)24)15-18-7-2-1-3-8-18)19-9-4-11-21(16-19)35-17-20-10-5-13-23(27(20)31)29(32,33)34/h1-14,16,35H,15,17H2
UniProtKB/SwissProt

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Article
PubMed
n/an/an/an/a 1.11E+4n/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...


Bioorg Med Chem 17: 3519-27 (2009)


Article DOI: 10.1016/j.bmc.2009.04.012
BindingDB Entry DOI: 10.7270/Q2T72HH5
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-beta


(Homo sapiens (Human))
BDBM50294743
PNG
(CHEMBL550035 | [3-(3-Benzyl-8-chlorocinnolin-4-yl)...)
Show SMILES FC(F)(F)c1cccc(CNc2cccc(c2)-c2c(Cc3ccccc3)nnc3c(Cl)cccc23)c1Cl
Show InChI InChI=1S/C29H20Cl2F3N3/c30-24-14-6-12-22-26(25(36-37-28(22)24)15-18-7-2-1-3-8-18)19-9-4-11-21(16-19)35-17-20-10-5-13-23(27(20)31)29(32,33)34/h1-14,16,35H,15,17H2
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PubMed
n/an/a 4.00E+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 LXRbeta ligand binding domain (154-461) expressed in Escherichia c...


Bioorg Med Chem 17: 3519-27 (2009)


Article DOI: 10.1016/j.bmc.2009.04.012
BindingDB Entry DOI: 10.7270/Q2T72HH5
More data for this
Ligand-Target Pair
Oxysterols receptor LXR-alpha


(Homo sapiens (Human))
BDBM50294743
PNG
(CHEMBL550035 | [3-(3-Benzyl-8-chlorocinnolin-4-yl)...)
Show SMILES FC(F)(F)c1cccc(CNc2cccc(c2)-c2c(Cc3ccccc3)nnc3c(Cl)cccc23)c1Cl
Show InChI InChI=1S/C29H20Cl2F3N3/c30-24-14-6-12-22-26(25(36-37-28(22)24)15-18-7-2-1-3-8-18)19-9-4-11-21(16-19)35-17-20-10-5-13-23(27(20)31)29(32,33)34/h1-14,16,35H,15,17H2
UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.12E+6n/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 ...


Bioorg Med Chem 17: 3519-27 (2009)


Article DOI: 10.1016/j.bmc.2009.04.012
BindingDB Entry DOI: 10.7270/Q2T72HH5
More data for this
Ligand-Target Pair