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BDBM50312906 2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl)pyrimidin-5-yl)acetic acid::CHEMBL1088284

SMILES: OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=ACFQRXVIUVXHIY-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50312906   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 0.0120n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK385-7 cells assessed as inhibition of PGD2-mediated beta-arrestin translocation preincuba...


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 1.90n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in HEK385-7 cells


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Rattus norvegicus)
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 7.5n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of rat CRTH2 receptor


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 3.10E+4n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of thromboxane A2 receptor


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Chemoattractant receptor-homologous molecule expressed on Th2 cells


(Cavia porcellus)
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
UniProtKB/TrEMBL

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PC sid
UniChem

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PubMed
n/an/a 29n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of guinea pig CRTH2 receptor


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 8.50E+3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human DP receptor


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Mus musculus)
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 5.90E+3n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of mouse DP receptor


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Mus musculus (mouse))
BDBM50312906
PNG
(2-(2-(bis(4-fluorophenyl)methyl)-4-(3-fluorophenyl...)
Show SMILES OC(=O)Cc1cnc(nc1-c1cccc(F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H17F3N2O2/c26-19-8-4-15(5-9-19)23(16-6-10-20(27)11-7-16)25-29-14-18(13-22(31)32)24(30-25)17-2-1-3-21(28)12-17/h1-12,14,23H,13H2,(H,31,32)
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n/an/a 3.40n/an/an/an/an/an/a



7TM Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of mouse CRTH2 receptor


Bioorg Med Chem Lett 20: 1638-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.092
BindingDB Entry DOI: 10.7270/Q2416X6B
More data for this
Ligand-Target Pair