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Compile Data Set for Download or QSAR

Found 448 hits with Last Name = 'hamdouchi' and Initial = 'c'   
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
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563846
PNG
(CHEMBL4787010)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(c2)C(F)(F)F)cc1 |r,c:26|
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1.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563845
PNG
(CHEMBL4793371)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(C)c2)cc1 |r,c:26|
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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563857
PNG
(CHEMBL4797858)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(c5ccccc45)c4ccccc4)CC3)cc2)cc1 |r|
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563843
PNG
(CHEMBL4798993)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(Cl)c2)cc1 |r,c:26|
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1.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50362690
PNG
(AMG-837 | CHEMBL1829173)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc1 |r|
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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2.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563844
PNG
(CHEMBL4781604)
Show SMILES COc1cc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)ccc1CN1CCC2(CC1)C=Cc1ccccc21 |r,c:34|
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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563860
PNG
(CHEMBL4788206)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccc(cc45)C(F)(F)F)CC3)cc2)cc1 |r|
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2.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563849
PNG
(CHEMBL4797124)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cc(C)c(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:27|
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3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563858
PNG
(CHEMBL4785057)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5c4cccc5Cl)CC3)cc2)cc1 |r|
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3.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563842
PNG
(CHEMBL4798023)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)c(F)c2)cc1 |r,c:26|
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4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563856
PNG
(CHEMBL4800563)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C(C)C)c5ccccc45)CC3)cc2)cc1 |r|
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4.10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563854
PNG
(CHEMBL4791842)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)cc2)cc1 |r|
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4.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50200369
PNG
(CHEMBL3915620)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26|
Show InChI InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1
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4.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50200369
PNG
(CHEMBL3915620)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26|
Show InChI InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1
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4.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563848
PNG
(CHEMBL4782004)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:26|
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4.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50386790
PNG
(CHEMBL1829174 | CHEMBL2047159 | TAK-875 | US119052...)
Show SMILES Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(COc2ccc3[C@H](CC(O)=O)COc3c2)c1 |r|
Show InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
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7.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247164
PNG
(CHEMBL4101901)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(s2)N2CCC3(CCc4ccccc34)CC2)cc1 |r|
Show InChI InChI=1S/C30H31NO3S/c1-2-5-24(20-29(32)33)22-8-10-25(11-9-22)34-21-26-12-13-28(35-26)31-18-16-30(17-19-31)15-14-23-6-3-4-7-27(23)30/h3-4,6-13,24H,14-21H2,1H3,(H,32,33)/t24-/m0/s1
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8.20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563863
PNG
(CHEMBL4787498)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)s2)cc1 |r|
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8.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563855
PNG
(CHEMBL4780641)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccccc45)CC3)cc2)cc1 |r|
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563840
PNG
(CHEMBL4787628)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1F |r,c:26|
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563859
PNG
(CHEMBL4786335)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CN(C)c5ccc(C)cc45)CC3)cc2)cc1 |r|
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50204020
PNG
(CHEMBL3927519)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2c(C)cccc2C)cc1 |r|
Show InChI InChI=1S/C27H25N3O3/c1-4-6-22(15-25(31)32)21-10-12-23(13-11-21)33-17-20-9-14-24-28-27(29-30(24)16-20)26-18(2)7-5-8-19(26)3/h5,7-14,16,22H,15,17H2,1-3H3,(H,31,32)/t22-/m0/s1
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15n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563862
PNG
(CHEMBL4799453)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)CC(=O)c3ccccc3O4)cc2)cc1 |r|
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563847
PNG
(CHEMBL4792075)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)o2)cc1 |r,c:26|
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50204012
PNG
(CHEMBL3955132)
Show SMILES COc1cccc2CCCN(Cc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)s3)c12 |r|
Show InChI InChI=1S/C28H29NO4S/c1-3-6-22(17-27(30)31)20-10-12-23(13-11-20)33-19-25-15-14-24(34-25)18-29-16-5-8-21-7-4-9-26(32-2)28(21)29/h4,7,9-15,22H,5,8,16-19H2,1-2H3,(H,30,31)/t22-/m0/s1
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27n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563861
PNG
(CHEMBL4784555)
Show SMILES COc1ccc2N(C)CC3(CCN(Cc4ccc(COc5ccc(cc5)[C@H](CC(O)=O)C#CC)cc4)CC3)c2c1 |r|
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247166
PNG
(CHEMBL4082711)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(cc2)C(C)C)cc1 |r|
Show InChI InChI=1S/C28H27N3O3/c1-4-5-24(16-27(32)33)22-11-13-25(14-12-22)34-18-20-6-15-26-29-28(30-31(26)17-20)23-9-7-21(8-10-23)19(2)3/h6-15,17,19,24H,16,18H2,1-3H3,(H,32,33)/t24-/m0/s1
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32n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247163
PNG
(CHEMBL4059614)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(cc2)C#N)cc1 |r|
Show InChI InChI=1S/C26H20N4O3/c1-2-3-22(14-25(31)32)20-9-11-23(12-10-20)33-17-19-6-13-24-28-26(29-30(24)16-19)21-7-4-18(15-27)5-8-21/h4-13,16,22H,14,17H2,1H3,(H,31,32)/t22-/m0/s1
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35n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247156
PNG
(CHEMBL4101472)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(OCCC(C)(C)O)cc2)cc1 |r|
Show InChI InChI=1S/C30H31N3O5/c1-4-5-24(18-28(34)35)22-7-11-26(12-8-22)38-20-21-6-15-27-31-29(32-33(27)19-21)23-9-13-25(14-10-23)37-17-16-30(2,3)36/h6-15,19,24,36H,16-18,20H2,1-3H3,(H,34,35)/t24-/m0/s1
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37n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563853
PNG
(CHEMBL4783033)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2nc(C)c(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:27|
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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247167
PNG
(CHEMBL4097527)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2ccc(OC(F)F)cc2)cc1 |r|
Show InChI InChI=1S/C26H21F2N3O4/c1-2-3-20(14-24(32)33)18-5-9-21(10-6-18)34-16-17-4-13-23-29-25(30-31(23)15-17)19-7-11-22(12-8-19)35-26(27)28/h4-13,15,20,26H,14,16H2,1H3,(H,32,33)/t20-/m0/s1
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60n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247162
PNG
(CHEMBL4075819)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc3nc(nn3c2)-c2c(C)cc(OCCCS(C)(=O)=O)cc2C)cc1 |r|
Show InChI InChI=1S/C31H33N3O6S/c1-5-7-25(18-29(35)36)24-9-11-26(12-10-24)40-20-23-8-13-28-32-31(33-34(28)19-23)30-21(2)16-27(17-22(30)3)39-14-6-15-41(4,37)38/h8-13,16-17,19,25H,6,14-15,18,20H2,1-4H3,(H,35,36)/t25-/m0/s1
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63n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563837
PNG
(CHEMBL4783190)
Show SMILES OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1F |c:23|
PDB

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68n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563864
PNG
(CHEMBL4778264)
Show SMILES OC(=O)C[C@H](c1ccon1)c1ccc(OCc2ccc3nc(nn3c2)-c2ccccc2)cc1 |r|
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79n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563852
PNG
(CHEMBL4794233)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2sc(CN3CCC4(CC3)C=Cc3ccccc43)nc2C)cc1 |r,c:25|
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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50247165
PNG
(CHEMBL4077366)
Show SMILES COCCOc1ccc(cc1)-c1nc2ccc(COc3ccc(cc3)[C@H](CC(O)=O)C#CC)cn2n1 |r|
Show InChI InChI=1S/C28H27N3O5/c1-3-4-23(17-27(32)33)21-6-10-25(11-7-21)36-19-20-5-14-26-29-28(30-31(26)18-20)22-8-12-24(13-9-22)35-16-15-34-2/h5-14,18,23H,15-17,19H2,1-2H3,(H,32,33)/t23-/m0/s1
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102n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Competitive displacement of [3H]-TAK-875 from full length human recombinant GPR40 expressed in HEK293 cell membranes after 2 hrs by scintillation cou...


J Med Chem 61: 934-945 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01411
BindingDB Entry DOI: 10.7270/Q2CZ39K5
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563851
PNG
(CHEMBL4790921)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2cnc(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:26|
PDB

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120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563850
PNG
(CHEMBL4795763)
Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ncc(CN3CCC4(CC3)C=Cc3ccccc43)s2)cc1 |r,c:26|
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130n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563838
PNG
(CHEMBL4794904)
Show SMILES OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1Cl |c:23|
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200n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563839
PNG
(CHEMBL4792027)
Show SMILES CC#C[C@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26|
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310n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))
BDBM50563841
PNG
(CHEMBL4786299)
Show SMILES CC#C[C@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1F |r,c:26|
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410n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-TAK-875 from human recombinant full-length GPR40 expressed in human HEK293 cell membrane incubated for 2 hrs by solid scintillat...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50563844
PNG
(CHEMBL4781604)
Show SMILES COc1cc(COc2ccc(cc2)[C@H](CC(O)=O)C#CC)ccc1CN1CCC2(CC1)C=Cc1ccccc21 |r,c:34|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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6.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG


Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM573147
PNG
(US11453673, Example 9)
Show SMILES Cc1c(C)n2c(nnc2c(=O)n1C[C@H]1CCCCO1)C1(CC1)C1CC1 |r|
KEGG

UniProtKB/SwissProt

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n/an/a 0.958n/an/an/an/an/an/a


TBA

Assay Description
TABLE 5: All 3′, 5′ cyclic nucleotide PDE enzyme activities are measured with a radiometric enzyme assay based on SPA detection system. C...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18RF
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM573138
PNG
(US11453673, Example 4)
Show SMILES Cc1c(C)n2c(nnc2c(=O)n1CC1CCC1)C1(CC1)C1CC1
KEGG

UniProtKB/SwissProt

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MCE
PC cid
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n/an/a 1.06n/an/an/an/an/an/a


TBA

Assay Description
TABLE 5: All 3′, 5′ cyclic nucleotide PDE enzyme activities are measured with a radiometric enzyme assay based on SPA detection system. C...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18RF
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM573155
PNG
(US11453673, Example 16)
Show SMILES CCCCn1c(C)c(CC)n2c(nnc2c1=O)C1(CC1)C1CC1
KEGG

UniProtKB/SwissProt

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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
TABLE 5: All 3′, 5′ cyclic nucleotide PDE enzyme activities are measured with a radiometric enzyme assay based on SPA detection system. C...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18RF
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM573136
PNG
(US11453673, Example 3)
Show SMILES CCCCCn1c(C)c(C)n2c(nnc2c1=O)C1(CC1)C1CC1
KEGG

UniProtKB/SwissProt

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n/an/a 1.26n/an/an/an/an/an/a


TBA

Assay Description
TABLE 5: All 3′, 5′ cyclic nucleotide PDE enzyme activities are measured with a radiometric enzyme assay based on SPA detection system. C...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18RF
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM573154
PNG
(US11453673, Example 15)
Show SMILES Cc1c(C)n2c(nnc2c(=O)n1CC1(C)CC1)C1(CC1)C1CC1
KEGG

UniProtKB/SwissProt

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n/an/a 1.40n/an/an/an/an/an/a


TBA

Assay Description
TABLE 5: All 3′, 5′ cyclic nucleotide PDE enzyme activities are measured with a radiometric enzyme assay based on SPA detection system. C...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18RF
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM573144
PNG
(US11453673, Example 6)
Show SMILES Cc1c(C)n2c(nnc2c(=O)n1CC1CCCCO1)C1(CC1)C1CC1
KEGG

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n/an/a 1.88n/an/an/an/an/an/a


TBA

Assay Description
TABLE 5: All 3′, 5′ cyclic nucleotide PDE enzyme activities are measured with a radiometric enzyme assay based on SPA detection system. C...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18RF
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM573148
PNG
(US11453673, Example 10)
Show SMILES Cc1c(C)n2c(nnc2c(=O)n1C[C@@H]1CCCCO1)C1(CC1)C1CC1 |r|
KEGG

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n/an/a 2n/an/an/an/an/an/a


TBA

Assay Description
TABLE 5: All 3′, 5′ cyclic nucleotide PDE enzyme activities are measured with a radiometric enzyme assay based on SPA detection system. C...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18RF
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM573139
PNG
(US11453673, Example 5)
Show SMILES CCCCn1c(C)c(C)n2c(nnc2c1=O)C1(CC1)C1CC1
KEGG

UniProtKB/SwissProt

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n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
TABLE 5: All 3′, 5′ cyclic nucleotide PDE enzyme activities are measured with a radiometric enzyme assay based on SPA detection system. C...


Citation and Details

BindingDB Entry DOI: 10.7270/Q22Z18RF
More data for this
Ligand-Target Pair
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