new BindingDB logo
myBDB logout

BDBM50172466 2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-yl)-propionic acid::CHEMBL197202

SMILES: CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1

InChI Key: InChIKey=SWCLDFSCLHXNAM-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 = 50172466   
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
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50172466
PNG
(2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.80E+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))
BDBM50172466
PNG
(2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+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
Beta amyloid A4 protein


(Homo sapiens (Human))
BDBM50172466
PNG
(2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+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 3A


(Homo sapiens (Human))
BDBM50172466
PNG
(2-(2-Fluoro-4''-hydroxy-[1,1';4',1'']terphenyl-4-y...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H17FO3/c1-13(21(24)25)17-8-11-19(20(22)12-17)16-4-2-14(3-5-16)15-6-9-18(23)10-7-15/h2-13,23H,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+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