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BDBM50172465 1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-yl)-cyclopropanecarboxylic acid::CHEMBL427548

SMILES: OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1

InChI Key: InChIKey=PYLGXNLJVJXKBA-UHFFFAOYSA-N

Data: 4 IC50

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 = 50172465   
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
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172465
PNG
(1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,9-10H2,(H,26,27)
PDB
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PC sid
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Article
PubMed
n/an/a 5.79E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against beta-amyloid-42 (Abeta42) secretion was evaluated in human neuroglioma cells (H4-APP695NL)


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50172465
PNG
(1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,9-10H2,(H,26,27)
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n/an/a 4.60E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C19 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50172465
PNG
(1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,9-10H2,(H,26,27)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 2C9 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50172465
PNG
(1-(4,2',2''-Trifluoro-[1,1';4',1'']terphenyl-4''-y...)
Show SMILES OC(=O)C1(CC1)c1ccc(c(F)c1)-c1ccc(c(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C22H15F3O2/c23-16-5-1-13(2-6-16)17-7-3-14(11-19(17)24)18-8-4-15(12-20(18)25)22(9-10-22)21(26)27/h1-8,11-12H,9-10H2,(H,26,27)
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n/an/a 3.80E+4n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Interaction with human cytochrome P450 isoform 3A4 expressed in baculovirus-insect cells


J Med Chem 48: 5705-20 (2005)


Article DOI: 10.1021/jm0502541
BindingDB Entry DOI: 10.7270/Q2CC106W
More data for this
Ligand-Target Pair