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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'akerman' and Initial = 'm'   
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
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183119
PNG
(4-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)a...)
Show SMILES FC(F)(F)c1ccccc1CN(CC1CCCCC1)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C29H30F3N3S/c30-29(31,32)26-15-7-5-12-23(26)18-35(17-21-9-2-1-3-10-21)19-24-20-36-28(33-24)34-27-16-8-13-22-11-4-6-14-25(22)27/h4-8,11-16,20-21H,1-3,9-10,17-19H2,(H,33,34)
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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183091
PNG
(4-((bis(cyclohexylmethyl)amino)methyl)-N-(naphthal...)
Show SMILES C(C1CCCCC1)N(CC1CCCCC1)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C28H37N3S/c1-3-10-22(11-4-1)18-31(19-23-12-5-2-6-13-23)20-25-21-32-28(29-25)30-27-17-9-15-24-14-7-8-16-26(24)27/h7-9,14-17,21-23H,1-6,10-13,18-20H2,(H,29,30)
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n/an/a 18n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183091
PNG
(4-((bis(cyclohexylmethyl)amino)methyl)-N-(naphthal...)
Show SMILES C(C1CCCCC1)N(CC1CCCCC1)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C28H37N3S/c1-3-10-22(11-4-1)18-31(19-23-12-5-2-6-13-23)20-25-21-32-28(29-25)30-27-17-9-15-24-14-7-8-16-26(24)27/h7-9,14-17,21-23H,1-6,10-13,18-20H2,(H,29,30)
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n/an/a 31n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183102
PNG
(CHEMBL205279 | N-(4-tert-butylthiazol-2-yl)-1-meth...)
Show SMILES Cn1ccc2c(Nc3nc(cs3)C(C)(C)C)cccc12
Show InChI InChI=1S/C16H19N3S/c1-16(2,3)14-10-20-15(18-14)17-12-6-5-7-13-11(12)8-9-19(13)4/h5-10H,1-4H3,(H,17,18)
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n/an/a 37n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183117
PNG
(4-((diisobutylamino)methyl)-N-(naphthalen-1-yl)thi...)
Show SMILES CC(C)CN(CC(C)C)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C22H29N3S/c1-16(2)12-25(13-17(3)4)14-19-15-26-22(23-19)24-21-11-7-9-18-8-5-6-10-20(18)21/h5-11,15-17H,12-14H2,1-4H3,(H,23,24)
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n/an/a 45n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183118
PNG
(4-tert-butyl-N-(naphthalen-1-yl)thiazol-2-amine | ...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C17H18N2S/c1-17(2,3)15-11-20-16(19-15)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H,18,19)
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n/an/a 80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183113
PNG
(4-tert-butyl-N-(naphthalen-1-yl)oxazol-2-amine | C...)
Show SMILES CC(C)(C)c1coc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C17H18N2O/c1-17(2,3)15-11-20-16(19-15)18-14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H,18,19)
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n/an/a 80n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183096
PNG
(4-isopropyl-N-(naphthalen-1-yl)thiazol-2-amine | C...)
Show SMILES CC(C)c1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C16H16N2S/c1-11(2)15-10-19-16(18-15)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,17,18)
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n/an/a 170n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183111
PNG
(4-tert-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3CCCCc23)n1
Show InChI InChI=1S/C17H22N2S/c1-17(2,3)15-11-20-16(19-15)18-14-10-6-8-12-7-4-5-9-13(12)14/h6,8,10-11H,4-5,7,9H2,1-3H3,(H,18,19)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183100
PNG
(CHEMBL208458 | N-(4-tert-butylthiazol-2-yl)-1-ethy...)
Show SMILES CCn1ccc2c(Nc3nc(cs3)C(C)(C)C)cccc12
Show InChI InChI=1S/C17H21N3S/c1-5-20-10-9-12-13(7-6-8-14(12)20)18-16-19-15(11-21-16)17(2,3)4/h6-11H,5H2,1-4H3,(H,18,19)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183099
PNG
(CHEMBL424689 | N-(naphthalen-1-yl)-4-neopentylthia...)
Show SMILES CC(C)(C)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C18H20N2S/c1-18(2,3)11-14-12-21-17(19-14)20-16-10-6-8-13-7-4-5-9-15(13)16/h4-10,12H,11H2,1-3H3,(H,19,20)
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n/an/a 220n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183098
PNG
(4-tert-butyl-N-(2,3-dimethylphenyl)thiazol-2-amine...)
Show SMILES Cc1cccc(Nc2nc(cs2)C(C)(C)C)c1C
Show InChI InChI=1S/C15H20N2S/c1-10-7-6-8-12(11(10)2)16-14-17-13(9-18-14)15(3,4)5/h6-9H,1-5H3,(H,16,17)
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n/an/a 260n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183089
PNG
(CHEMBL207857 | N-(4-tert-butylthiazol-2-yl)quinoli...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3ncccc23)n1
Show InChI InChI=1S/C16H17N3S/c1-16(2,3)14-10-20-15(19-14)18-13-8-4-7-12-11(13)6-5-9-17-12/h4-10H,1-3H3,(H,18,19)
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183107
PNG
(6-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)a...)
Show SMILES Cc1cccc(Nc2cccc(CN(CC3CCCCC3)Cc3ccccc3C(F)(F)F)n2)c1C
Show InChI InChI=1S/C29H34F3N3/c1-21-10-8-16-27(22(21)2)34-28-17-9-14-25(33-28)20-35(18-23-11-4-3-5-12-23)19-24-13-6-7-15-26(24)29(30,31)32/h6-10,13-17,23H,3-5,11-12,18-20H2,1-2H3,(H,33,34)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183116
PNG
(3-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)a...)
Show SMILES Cc1cccc(Nc2cc(CN(CC3CCCCC3)Cc3ccccc3C(F)(F)F)nn2C)c1C
Show InChI InChI=1S/C28H35F3N4/c1-20-10-9-15-26(21(20)2)32-27-16-24(33-34(27)3)19-35(17-22-11-5-4-6-12-22)18-23-13-7-8-14-25(23)28(29,30)31/h7-10,13-16,22,32H,4-6,11-12,17-19H2,1-3H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183095
PNG
(4-tert-butyl-N-(2-isopropylphenyl)thiazol-2-amine ...)
Show SMILES CC(C)c1ccccc1Nc1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C16H22N2S/c1-11(2)12-8-6-7-9-13(12)17-15-18-14(10-19-15)16(3,4)5/h6-11H,1-5H3,(H,17,18)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183104
PNG
(CHEMBL207479 | N-(4-tert-butylthiazol-2-yl)-1H-ind...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3[nH]ccc23)n1
Show InChI InChI=1S/C15H17N3S/c1-15(2,3)13-9-19-14(18-13)17-12-6-4-5-11-10(12)7-8-16-11/h4-9,16H,1-3H3,(H,17,18)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183091
PNG
(4-((bis(cyclohexylmethyl)amino)methyl)-N-(naphthal...)
Show SMILES C(C1CCCCC1)N(CC1CCCCC1)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C28H37N3S/c1-3-10-22(11-4-1)18-31(19-23-12-5-2-6-13-23)20-25-21-32-28(29-25)30-27-17-9-15-24-14-7-8-16-26(24)27/h7-9,14-17,21-23H,1-6,10-13,18-20H2,(H,29,30)
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n/an/a 530n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of TARC-mediated CEM cell migration


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183110
PNG
(4-((diethylamino)methyl)-N-(naphthalen-1-yl)thiazo...)
Show SMILES CCN(CC)Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C18H21N3S/c1-3-21(4-2)12-15-13-22-18(19-15)20-17-11-7-9-14-8-5-6-10-16(14)17/h5-11,13H,3-4,12H2,1-2H3,(H,19,20)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183106
PNG
(4-(4-tert-butylphenyl)-N-(naphthalen-1-yl)thiazol-...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C23H22N2S/c1-23(2,3)18-13-11-17(12-14-18)21-15-26-22(25-21)24-20-10-6-8-16-7-4-5-9-19(16)20/h4-15H,1-3H3,(H,24,25)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183109
PNG
(4-tert-butyl-N-o-tolylthiazol-2-amine | CHEMBL3822...)
Show SMILES Cc1ccccc1Nc1nc(cs1)C(C)(C)C
Show InChI InChI=1S/C14H18N2S/c1-10-7-5-6-8-11(10)15-13-16-12(9-17-13)14(2,3)4/h5-9H,1-4H3,(H,15,16)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183088
PNG
(4-((ethylamino)methyl)-N-(naphthalen-1-yl)thiazol-...)
Show SMILES CCNCc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C16H17N3S/c1-2-17-10-13-11-20-16(18-13)19-15-9-5-7-12-6-3-4-8-14(12)15/h3-9,11,17H,2,10H2,1H3,(H,18,19)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183101
PNG
(CHEMBL378272 | N-(4-tert-butylthiazol-2-yl)isoquin...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3cnccc23)n1
Show InChI InChI=1S/C16H17N3S/c1-16(2,3)14-10-20-15(19-14)18-13-6-4-5-11-9-17-8-7-12(11)13/h4-10H,1-3H3,(H,18,19)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183094
PNG
(4-methyl-N-(naphthalen-1-yl)thiazol-2-amine | CHEM...)
Show SMILES Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183114
PNG
(4-tert-butyl-N-m-tolylthiazol-2-amine | CHEMBL4382...)
Show SMILES Cc1cccc(Nc2nc(cs2)C(C)(C)C)c1
Show InChI InChI=1S/C14H18N2S/c1-10-6-5-7-11(8-10)15-13-16-12(9-17-13)14(2,3)4/h5-9H,1-4H3,(H,15,16)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183094
PNG
(4-methyl-N-(naphthalen-1-yl)thiazol-2-amine | CHEM...)
Show SMILES Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]MDC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183112
PNG
(4-tert-butyl-N-phenylthiazol-2-amine | CHEMBL20610...)
Show SMILES CC(C)(C)c1csc(Nc2ccccc2)n1
Show InChI InChI=1S/C13H16N2S/c1-13(2,3)11-9-16-12(15-11)14-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183105
PNG
(CHEMBL208452 | N-(naphthalen-1-yl)-4-phenylthiazol...)
Show SMILES N(c1nc(cs1)-c1ccccc1)c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2S/c1-2-8-15(9-3-1)18-13-22-19(21-18)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,20,21)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183094
PNG
(4-methyl-N-(naphthalen-1-yl)thiazol-2-amine | CHEM...)
Show SMILES Cc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of TARC-mediated CEM cell migration


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183092
PNG
(3-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)a...)
Show SMILES Cc1cccc(Nc2cc(CN(CC3CCCCC3)Cc3ccccc3C(F)(F)F)no2)c1C
Show InChI InChI=1S/C27H32F3N3O/c1-19-9-8-14-25(20(19)2)31-26-15-23(32-34-26)18-33(16-21-10-4-3-5-11-21)17-22-12-6-7-13-24(22)27(28,29)30/h6-9,12-15,21,31H,3-5,10-11,16-18H2,1-2H3
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n/an/a 1.21E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183108
PNG
(CHEMBL206039 | N-(4-tert-butylthiazol-2-yl)quinoli...)
Show SMILES CC(C)(C)c1csc(Nc2cccc3cccnc23)n1
Show InChI InChI=1S/C16H17N3S/c1-16(2,3)13-10-20-15(19-13)18-12-8-4-6-11-7-5-9-17-14(11)12/h4-10H,1-3H3,(H,18,19)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183090
PNG
(4-isopropyl-2-(naphthalen-1-ylmethyl)thiazole | CH...)
Show SMILES CC(C)c1csc(Cc2cccc3ccccc23)n1
Show InChI InChI=1S/C17H17NS/c1-12(2)16-11-19-17(18-16)10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,11-12H,10H2,1-2H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183097
PNG
(3-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)a...)
Show SMILES Cc1cccc(Nc2cc(CN(CC3CCCCC3)Cc3ccccc3C(F)(F)F)n[nH]2)c1C
Show InChI InChI=1S/C27H33F3N4/c1-19-9-8-14-25(20(19)2)31-26-15-23(32-33-26)18-34(16-21-10-4-3-5-11-21)17-22-12-6-7-13-24(22)27(28,29)30/h6-9,12-15,21H,3-5,10-11,16-18H2,1-2H3,(H2,31,32,33)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183115
PNG
(CHEMBL207801 | N,4-dimethyl-N-(naphthalen-1-yl)thi...)
Show SMILES CN(c1nc(C)cs1)c1cccc2ccccc12
Show InChI InChI=1S/C15H14N2S/c1-11-10-18-15(16-11)17(2)14-9-5-7-12-6-3-4-8-13(12)14/h3-10H,1-2H3
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183093
PNG
(4-(aminomethyl)-N-(naphthalen-1-yl)thiazol-2-amine...)
Show SMILES NCc1csc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C14H13N3S/c15-8-11-9-18-14(16-11)17-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9H,8,15H2,(H,16,17)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
C-C chemokine receptor type 4 (CCR4)


(Homo sapiens (Human))
BDBM50183103
PNG
(4-tert-butyl-N-(naphthalen-1-yl)pyrimidin-2-amine ...)
Show SMILES CC(C)(C)c1ccnc(Nc2cccc3ccccc23)n1
Show InChI InChI=1S/C18H19N3/c1-18(2,3)16-11-12-19-17(21-16)20-15-10-6-8-13-7-4-5-9-14(13)15/h4-12H,1-3H3,(H,19,20,21)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]TARC from CCR4 expressed in human CEM cell line


Bioorg Med Chem Lett 16: 2800-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.126
BindingDB Entry DOI: 10.7270/Q2X63MHC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362691
PNG
(CHEMBL1939637)
Show SMILES COc1ccc(COc2ccc(CCC(O)=O)cc2)cc1
Show InChI InChI=1S/C17H18O4/c1-20-15-7-4-14(5-8-15)12-21-16-9-2-13(3-10-16)6-11-17(18)19/h2-5,7-10H,6,11-12H2,1H3,(H,18,19)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Rattus norvegicus)
BDBM50362690
PNG
(CHEMBL1829173)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C26H21F3O3/c1-2-4-21(16-25(30)31)20-9-13-24(14-10-20)32-17-18-5-3-6-22(15-18)19-7-11-23(12-8-19)26(27,28)29/h3,5-15,21H,16-17H2,1H3,(H,30,31)/t21-/m0/s1
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n/an/an/an/a 23n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rat GPR40


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362693
PNG
(CHEMBL1939639)
Show SMILES COc1ccc(COc2ccc(cc2)C(CC(O)=O)C=C)cc1
Show InChI InChI=1S/C19H20O4/c1-3-15(12-19(20)21)16-6-10-18(11-7-16)23-13-14-4-8-17(22-2)9-5-14/h3-11,15H,1,12-13H2,2H3,(H,20,21)
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n/an/an/an/a 900n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362694
PNG
(CHEMBL1939640)
Show SMILES COc1ccc(COc2ccc(cc2)C(CC(O)=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H21FO4/c1-27-20-10-2-16(3-11-20)15-28-21-12-6-18(7-13-21)22(14-23(25)26)17-4-8-19(24)9-5-17/h2-13,22H,14-15H2,1H3,(H,25,26)
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Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362695
PNG
(CHEMBL1939641)
Show SMILES COc1ccc(COc2ccc(cc2)C(CC(O)=O)C=C(C)C)cc1
Show InChI InChI=1S/C21H24O4/c1-15(2)12-18(13-21(22)23)17-6-10-20(11-7-17)25-14-16-4-8-19(24-3)9-5-16/h4-12,18H,13-14H2,1-3H3,(H,22,23)
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n/an/an/an/a 120n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362696
PNG
(CHEMBL1939642)
Show SMILES COc1ccc(COc2ccc(cc2)C(CC(O)=O)=C(C)C)cc1
Show InChI InChI=1S/C20H22O4/c1-14(2)19(12-20(21)22)16-6-10-18(11-7-16)24-13-15-4-8-17(23-3)9-5-15/h4-11H,12-13H2,1-3H3,(H,21,22)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362697
PNG
(CHEMBL1939643)
Show SMILES COc1ccc(COc2ccc(cc2)C(CC(O)=O)C#CC)cc1
Show InChI InChI=1S/C20H20O4/c1-3-4-17(13-20(21)22)16-7-11-19(12-8-16)24-14-15-5-9-18(23-2)10-6-15/h5-12,17H,13-14H2,1-2H3,(H,21,22)
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n/an/an/an/a 260n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362698
PNG
(CHEMBL1939644)
Show SMILES COc1ccc(COc2ccc(cc2)[C@@H](CC(O)=O)C#CC)cc1
Show InChI InChI=1S/C20H20O4/c1-3-4-17(13-20(21)22)16-7-11-19(12-8-16)24-14-15-5-9-18(23-2)10-6-15/h5-12,17H,13-14H2,1-2H3,(H,21,22)/t17-/m1/s1
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n/an/an/an/a 6.70E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362699
PNG
(CHEMBL1939645)
Show SMILES COc1ccc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)cc1
Show InChI InChI=1S/C20H20O4/c1-3-4-17(13-20(21)22)16-7-11-19(12-8-16)24-14-15-5-9-18(23-2)10-6-15/h5-12,17H,13-14H2,1-2H3,(H,21,22)/t17-/m0/s1
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n/an/an/an/a 64n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362700
PNG
(CHEMBL1939646)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H18O3/c1-2-6-17(13-19(20)21)16-9-11-18(12-10-16)22-14-15-7-4-3-5-8-15/h3-5,7-12,17H,13-14H2,1H3,(H,20,21)
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n/an/an/an/a 620n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362701
PNG
(CHEMBL1939647)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C20H20O3/c1-2-6-18(15-20(21)22)17-9-11-19(12-10-17)23-14-13-16-7-4-3-5-8-16/h3-5,7-12,18H,13-15H2,1H3,(H,21,22)
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n/an/an/an/a 6.20E+3n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362702
PNG
(CHEMBL1939648)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2ccc(C)cc2)cc1
Show InChI InChI=1S/C20H20O3/c1-3-4-18(13-20(21)22)17-9-11-19(12-10-17)23-14-16-7-5-15(2)6-8-16/h5-12,18H,13-14H2,1-2H3,(H,21,22)
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n/an/an/an/a 180n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362703
PNG
(CHEMBL1939649)
Show SMILES CC#CC(CC(O)=O)c1ccc(OCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H17F3O3/c1-2-3-16(12-19(24)25)15-6-10-18(11-7-15)26-13-14-4-8-17(9-5-14)20(21,22)23/h4-11,16H,12-13H2,1H3,(H,24,25)
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n/an/an/an/a 2.70E+4n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (human))
BDBM50362704
PNG
(CHEMBL1939650)
Show SMILES COc1cccc(COc2ccc(cc2)C(CC(O)=O)C#CC)c1
Show InChI InChI=1S/C20H20O4/c1-3-5-17(13-20(21)22)16-8-10-18(11-9-16)24-14-15-6-4-7-19(12-15)23-2/h4,6-12,17H,13-14H2,1-2H3,(H,21,22)
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n/an/an/an/a 110n/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHO cells assessed as calcium flux measured for 20 secs by aequorin assay


Bioorg Med Chem Lett 22: 1267-70 (2012)


Article DOI: 10.1016/j.bmcl.2011.10.118
BindingDB Entry DOI: 10.7270/Q2MC90GP
More data for this
Ligand-Target Pair
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