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PubMed code 22560471

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50383690
PNG
(CHEMBL2030120)
Show SMILES OC(=O)COc1ccccc1COc1ccc(Cl)cc1-c1ccno1
Show InChI InChI=1S/C18H14ClNO5/c19-13-5-6-16(14(9-13)17-7-8-20-25-17)23-10-12-3-1-2-4-15(12)24-11-18(21)22/h1-9H,10-11H2,(H,21,22)
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247n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383691
PNG
(CHEMBL2030121)
Show SMILES CCCNC(=O)c1ccccc1OCc1cccc(C)c1OCC(O)=O
Show InChI InChI=1S/C20H23NO5/c1-3-11-21-20(24)16-9-4-5-10-17(16)25-12-15-8-6-7-14(2)19(15)26-13-18(22)23/h4-10H,3,11-13H2,1-2H3,(H,21,24)(H,22,23)
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333n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383692
PNG
(CHEMBL2030122)
Show SMILES Cc1ccc2cccc(OCc3ccccc3OCC(O)=O)c2n1
Show InChI InChI=1S/C19H17NO4/c1-13-9-10-14-6-4-8-17(19(14)20-13)23-11-15-5-2-3-7-16(15)24-12-18(21)22/h2-10H,11-12H2,1H3,(H,21,22)
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492n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383693
PNG
(CHEMBL2030123)
Show SMILES Cc1ccc(Cl)cc1OCc1ccccc1OCC(O)=O
Show InChI InChI=1S/C16H15ClO4/c1-11-6-7-13(17)8-15(11)20-9-12-4-2-3-5-14(12)21-10-16(18)19/h2-8H,9-10H2,1H3,(H,18,19)
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520n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383685
PNG
(CHEMBL2030115)
Show SMILES CCc1nn(Cc2cccc(Br)c2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C16H19BrN2O2/c1-3-14-13(9-16(20)21)15(4-2)19(18-14)10-11-6-5-7-12(17)8-11/h5-8H,3-4,9-10H2,1-2H3,(H,20,21)
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PubMed
563n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383686
PNG
(CHEMBL2030116)
Show SMILES CCc1nn(Cc2ccc3ccccc3c2)c(CC)c1CC(O)=O
Show InChI InChI=1S/C20H22N2O2/c1-3-18-17(12-20(23)24)19(4-2)22(21-18)13-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,24)
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574n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383694
PNG
(CHEMBL2030124)
Show SMILES OC(=O)COc1ccccc1COc1ccc(F)cc1C1CC1
Show InChI InChI=1S/C18H17FO4/c19-14-7-8-17(15(9-14)12-5-6-12)22-10-13-3-1-2-4-16(13)23-11-18(20)21/h1-4,7-9,12H,5-6,10-11H2,(H,20,21)
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591n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383687
PNG
(CHEMBL2030117)
Show SMILES CCc1nn(Cc2cc(Cl)ccc2Cl)c(CC)c1CC(O)=O
Show InChI InChI=1S/C16H18Cl2N2O2/c1-3-14-12(8-16(21)22)15(4-2)20(19-14)9-10-7-11(17)5-6-13(10)18/h5-7H,3-4,8-9H2,1-2H3,(H,21,22)
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623n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383688
PNG
(CHEMBL2030118)
Show SMILES CCc1nn(CC(O)=O)c(CC)c1Cc1ccc2ccccc2c1
Show InChI InChI=1S/C20H22N2O2/c1-3-18-17(19(4-2)22(21-18)13-20(23)24)12-14-9-10-15-7-5-6-8-16(15)11-14/h5-11H,3-4,12-13H2,1-2H3,(H,23,24)
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631n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50383689
PNG
(CHEMBL2030119)
Show SMILES OC(=O)Cn1cnc2CN(CCc12)C(=O)c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C18H16N4O3S/c23-16(24)9-22-11-19-13-8-21(7-6-15(13)22)18(25)14-10-26-17(20-14)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H,23,24)
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752n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cell membrane after 120 mins by scintillation counting


Bioorg Med Chem Lett 22: 3682-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.041
BindingDB Entry DOI: 10.7270/Q27W6D74
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%