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PubMed code 29316397

Compile data set for download or QSAR
Found 47 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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50243975
PNG
(CHEMBL4080226)
Show SMILES COc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(Cl)cn1 |r,c:18|
Show InChI InChI=1S/C25H28ClF3N4O4/c1-14-13-32(20-10-22(36-3)30-12-18(20)26)9-8-21(14)37-17-6-4-16(5-7-17)33-19(11-23(34)35)15(2)24(31-33)25(27,28)29/h4-7,10,12,14-15,19,21H,8-9,11,13H2,1-3H3,(H,34,35)/t14-,15+,19+,21-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of MAO-B (unknown origin)

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50243976
PNG
(CHEMBL4105324)
Show SMILES COc1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:26|
Show InChI InChI=1S/C25H27F4N3O4/c1-15-21(14-23(33)34)32(30-24(15)25(27,28)29)16-3-5-17(6-4-16)36-18-9-11-31(12-10-18)22-13-19(35-2)7-8-20(22)26/h3-8,13,15,18,21H,9-12,14H2,1-2H3,(H,33,34)/t15-,21-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244004
PNG
(CHEMBL4088375)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccc(Cl)cc2)cc1 |r,c:8|
Show InChI InChI=1S/C24H25ClF3N3O3/c1-15-21(14-22(32)33)31(29-23(15)24(26,27)28)18-6-8-19(9-7-18)34-20-10-12-30(13-11-20)17-4-2-16(25)3-5-17/h2-9,15,20-21H,10-14H2,1H3,(H,32,33)/t15-,21-/m0/s1
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n/an/an/an/a 6.27E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244014
PNG
(CHEMBL4096102)
Show SMILES COc1ccc(F)c(c1)N1CC[C@@H](COc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)C1 |r|
Show InChI InChI=1S/C25H28F4N2O4/c1-34-21-6-7-22(26)23(12-21)30-9-8-16(13-30)15-35-20-4-2-18(3-5-20)31-14-17(25(27,28)29)10-19(31)11-24(32)33/h2-7,12,16-17,19H,8-11,13-15H2,1H3,(H,32,33)/t16-,17-,19-/m1/s1
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n/an/an/an/a 630n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244025
PNG
(CHEMBL4063492)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(F)ccc2Cl)cc1 |r,c:8|
Show InChI InChI=1S/C24H24ClF4N3O3/c1-14-20(13-22(33)34)32(30-23(14)24(27,28)29)16-3-5-17(6-4-16)35-18-8-10-31(11-9-18)21-12-15(26)2-7-19(21)25/h2-7,12,14,18,20H,8-11,13H2,1H3,(H,33,34)/t14-,20-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244027
PNG
(CHEMBL4082717)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(F)ccc2F)cc1 |r,c:8|
Show InChI InChI=1S/C24H24F5N3O3/c1-14-20(13-22(33)34)32(30-23(14)24(27,28)29)16-3-5-17(6-4-16)35-18-8-10-31(11-9-18)21-12-15(25)2-7-19(21)26/h2-7,12,14,18,20H,8-11,13H2,1H3,(H,33,34)/t14-,20-/m0/s1
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n/an/an/an/a 480n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244028
PNG
(CHEMBL4072229)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(C)ccc2Cl)cc1 |r,c:8|
Show InChI InChI=1S/C25H27ClF3N3O3/c1-15-3-8-20(26)22(13-15)31-11-9-19(10-12-31)35-18-6-4-17(5-7-18)32-21(14-23(33)34)16(2)24(30-32)25(27,28)29/h3-8,13,16,19,21H,9-12,14H2,1-2H3,(H,33,34)/t16-,21-/m0/s1
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n/an/an/an/a 360n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244030
PNG
(CHEMBL4091456)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cccc(F)n2)cc1 |r,c:8|
Show InChI InChI=1S/C23H24F4N4O3/c1-14-18(13-21(32)33)31(29-22(14)23(25,26)27)15-5-7-16(8-6-15)34-17-9-11-30(12-10-17)20-4-2-3-19(24)28-20/h2-8,14,17-18H,9-13H2,1H3,(H,32,33)/t14-,18-/m0/s1
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n/an/an/an/a 390n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244056
PNG
(CHEMBL4070721)
Show SMILES COc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](F)C2)c(Cl)cn1 |r,c:18|
Show InChI InChI=1S/C24H25ClF4N4O4/c1-13-18(10-22(34)35)33(31-23(13)24(27,28)29)14-3-5-15(6-4-14)37-20-7-8-32(12-17(20)26)19-9-21(36-2)30-11-16(19)25/h3-6,9,11,13,17-18,20H,7-8,10,12H2,1-2H3,(H,34,35)/t13-,17+,18-,20+/m0/s1
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n/an/an/an/a 180n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244071
PNG
(CHEMBL4078050)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccccc2)cc1 |r,c:8|
Show InChI InChI=1S/C24H26F3N3O3/c1-16-21(15-22(31)32)30(28-23(16)24(25,26)27)18-7-9-19(10-8-18)33-20-11-13-29(14-12-20)17-5-3-2-4-6-17/h2-10,16,20-21H,11-15H2,1H3,(H,31,32)/t16-,21-/m0/s1
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n/an/an/an/a 1.93E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244086
PNG
(CHEMBL4063627)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccccn2)cc1 |r,c:8|
Show InChI InChI=1S/C23H25F3N4O3/c1-15-19(14-21(31)32)30(28-22(15)23(24,25)26)16-5-7-17(8-6-16)33-18-9-12-29(13-10-18)20-4-2-3-11-27-20/h2-8,11,15,18-19H,9-10,12-14H2,1H3,(H,31,32)/t15-,19-/m0/s1
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n/an/an/an/a 2.61E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244087
PNG
(CHEMBL4093944)
Show SMILES COc1cc(N2CCC(CC2)Oc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)c(F)cn1 |r,c:21|
Show InChI InChI=1S/C24H26F4N4O4/c1-14-19(12-22(33)34)32(30-23(14)24(26,27)28)15-3-5-16(6-4-15)36-17-7-9-31(10-8-17)20-11-21(35-2)29-13-18(20)25/h3-6,11,13-14,17,19H,7-10,12H2,1-2H3,(H,33,34)/t14-,19-/m0/s1
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n/an/an/an/a 150n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244013
PNG
(CHEMBL4103854)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccccc2Cl)cc1 |r,c:8|
Show InChI InChI=1S/C24H25ClF3N3O3/c1-15-21(14-22(32)33)31(29-23(15)24(26,27)28)16-6-8-17(9-7-16)34-18-10-12-30(13-11-18)20-5-3-2-4-19(20)25/h2-9,15,18,21H,10-14H2,1H3,(H,32,33)/t15-,21-/m0/s1
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n/an/an/an/a 450n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244067
PNG
(CHEMBL4075946)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(Cl)ccc2F)cc1 |r,c:8|
Show InChI InChI=1S/C24H24ClF4N3O3/c1-14-20(13-22(33)34)32(30-23(14)24(27,28)29)16-3-5-17(6-4-16)35-18-8-10-31(11-9-18)21-12-15(25)2-7-19(21)26/h2-7,12,14,18,20H,8-11,13H2,1H3,(H,33,34)/t14-,20-/m0/s1
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n/an/an/an/a 510n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244001
PNG
(CHEMBL4076149)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2c(C)cccc2F)cc1 |r,c:8|
Show InChI InChI=1S/C25H27F4N3O3/c1-15-4-3-5-20(26)23(15)31-12-10-19(11-13-31)35-18-8-6-17(7-9-18)32-21(14-22(33)34)16(2)24(30-32)25(27,28)29/h3-9,16,19,21H,10-14H2,1-2H3,(H,33,34)/t16-,21-/m0/s1
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n/an/an/an/a 800n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244005
PNG
(CHEMBL4080516)
Show SMILES CCc1cccc(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:25|
Show InChI InChI=1S/C26H30F3N3O3/c1-3-18-5-4-6-20(15-18)31-13-11-22(12-14-31)35-21-9-7-19(8-10-21)32-23(16-24(33)34)17(2)25(30-32)26(27,28)29/h4-10,15,17,22-23H,3,11-14,16H2,1-2H3,(H,33,34)/t17-,23-/m0/s1
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n/an/an/an/a 1.18E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50244066
PNG
(CHEMBL4083365)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r|
Show InChI InChI=1S/C28H27F4NO3/c1-17-11-20(25-15-24(36-2)9-10-26(25)29)6-5-19(17)12-18-3-7-22(8-4-18)33-16-21(28(30,31)32)13-23(33)14-27(34)35/h3-11,15,21,23H,12-14,16H2,1-2H3,(H,34,35)/t21-,23-/m1/s1
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MMDB

NCI pathway
Reactome pathway
KEGG

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n/an/an/an/a 4.40E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma (unknown origin)

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244070
PNG
(CHEMBL4104738)
Show SMILES COc1cccc(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:25|
Show InChI InChI=1S/C25H28F3N3O4/c1-16-22(15-23(32)33)31(29-24(16)25(26,27)28)17-6-8-19(9-7-17)35-20-10-12-30(13-11-20)18-4-3-5-21(14-18)34-2/h3-9,14,16,20,22H,10-13,15H2,1-2H3,(H,32,33)/t16-,22-/m0/s1
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n/an/an/an/a 620n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50243976
PNG
(CHEMBL4105324)
Show SMILES COc1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:26|
Show InChI InChI=1S/C25H27F4N3O4/c1-15-21(14-23(33)34)32(30-24(15)25(27,28)29)16-3-5-17(6-4-16)36-18-9-11-31(12-10-18)22-13-19(35-2)7-8-20(22)26/h3-8,13,15,18,21H,9-12,14H2,1-2H3,(H,33,34)/t15-,21-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma (unknown origin)

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244015
PNG
(CHEMBL4061819)
Show SMILES COc1ccc(F)c(c1)N1CC[C@H](COc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)C1 |r|
Show InChI InChI=1S/C25H28F4N2O4/c1-34-21-6-7-22(26)23(12-21)30-9-8-16(13-30)15-35-20-4-2-18(3-5-20)31-14-17(25(27,28)29)10-19(31)11-24(32)33/h2-7,12,16-17,19H,8-11,13-15H2,1H3,(H,32,33)/t16-,17+,19+/m0/s1
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n/an/an/an/a 940n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244016
PNG
(CHEMBL4070443)
Show SMILES COc1ccc(F)c(c1)N1CCC(Cc2ccc(cc2)N2C[C@@H](C[C@@H]2CC(O)=O)C(F)(F)F)CC1 |r|
Show InChI InChI=1S/C26H30F4N2O3/c1-35-22-6-7-23(27)24(15-22)31-10-8-18(9-11-31)12-17-2-4-20(5-3-17)32-16-19(26(28,29)30)13-21(32)14-25(33)34/h2-7,15,18-19,21H,8-14,16H2,1H3,(H,33,34)/t19-,21-/m1/s1
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n/an/an/an/a 530n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244023
PNG
(CHEMBL4097617)
Show SMILES COc1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1CCC[C@@H]1CC(O)=O |r|
Show InChI InChI=1S/C24H29FN2O4/c1-30-21-8-9-22(25)23(16-21)26-13-10-20(11-14-26)31-19-6-4-17(5-7-19)27-12-2-3-18(27)15-24(28)29/h4-9,16,18,20H,2-3,10-15H2,1H3,(H,28,29)/t18-/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244026
PNG
(CHEMBL4065150)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(Cl)ccc2Cl)cc1 |r,c:8|
Show InChI InChI=1S/C24H24Cl2F3N3O3/c1-14-20(13-22(33)34)32(30-23(14)24(27,28)29)16-3-5-17(6-4-16)35-18-8-10-31(11-9-18)21-12-15(25)2-7-19(21)26/h2-7,12,14,18,20H,8-11,13H2,1H3,(H,33,34)/t14-,20-/m0/s1
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n/an/an/an/a 250n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244053
PNG
(CHEMBL4083678)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cccnc2)cc1 |r,c:8|
Show InChI InChI=1S/C23H25F3N4O3/c1-15-20(13-21(31)32)30(28-22(15)23(24,25)26)16-4-6-18(7-5-16)33-19-8-11-29(12-9-19)17-3-2-10-27-14-17/h2-7,10,14-15,19-20H,8-9,11-13H2,1H3,(H,31,32)/t15-,20-/m0/s1
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n/an/an/an/a 7.68E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244069
PNG
(CHEMBL4089313)
Show SMILES COc1cccc(F)c1N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:26|
Show InChI InChI=1S/C25H27F4N3O4/c1-15-20(14-22(33)34)32(30-24(15)25(27,28)29)16-6-8-17(9-7-16)36-18-10-12-31(13-11-18)23-19(26)4-3-5-21(23)35-2/h3-9,15,18,20H,10-14H2,1-2H3,(H,33,34)/t15-,20-/m0/s1
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n/an/an/an/a 5.90E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50243983
PNG
(CHEMBL4086198)
Show SMILES COc1ccc(F)c(c1)-c1ccc(Cc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r,c:23|
Show InChI InChI=1S/C28H26F4N2O3/c1-16-12-20(23-14-22(37-3)10-11-24(23)29)7-6-19(16)13-18-4-8-21(9-5-18)34-25(15-26(35)36)17(2)27(33-34)28(30,31)32/h4-12,14,17,25H,13,15H2,1-3H3,(H,35,36)/t17-,25-/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma (unknown origin)

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244000
PNG
(CHEMBL4072314)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2c(C)cccc2C)cc1 |r,c:8|
Show InChI InChI=1S/C26H30F3N3O3/c1-16-5-4-6-17(2)24(16)31-13-11-21(12-14-31)35-20-9-7-19(8-10-20)32-22(15-23(33)34)18(3)25(30-32)26(27,28)29/h4-10,18,21-22H,11-15H2,1-3H3,(H,33,34)/t18-,22-/m0/s1
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n/an/an/an/a 1.34E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244024
PNG
(CHEMBL4081072)
Show SMILES COc1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1C[C@@H](C[C@@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C25H28F4N2O4/c1-34-21-6-7-22(26)23(14-21)30-10-8-20(9-11-30)35-19-4-2-17(3-5-19)31-15-16(25(27,28)29)12-18(31)13-24(32)33/h2-7,14,16,18,20H,8-13,15H2,1H3,(H,32,33)/t16-,18-/m1/s1
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n/an/an/an/a 210n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244064
PNG
(CHEMBL4094183)
Show SMILES COc1cc(N2CC[C@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@@H](C)C2)c(Cl)cn1 |r,c:18|
Show InChI InChI=1S/C25H28ClF3N4O4/c1-14-13-32(20-10-22(36-3)30-12-18(20)26)9-8-21(14)37-17-6-4-16(5-7-17)33-19(11-23(34)35)15(2)24(31-33)25(27,28)29/h4-7,10,12,14-15,19,21H,8-9,11,13H2,1-3H3,(H,34,35)/t14-,15-,19-,21-/m0/s1
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n/an/an/an/a 320n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244092
PNG
(CHEMBL4066815)
Show SMILES CCOc1ccc(F)c(c1)N1CC[C@@H](Oc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)[C@H](F)C1 |r,c:24|
Show InChI InChI=1S/C26H28F5N3O4/c1-3-37-18-8-9-19(27)22(12-18)33-11-10-23(20(28)14-33)38-17-6-4-16(5-7-17)34-21(13-24(35)36)15(2)25(32-34)26(29,30)31/h4-9,12,15,20-21,23H,3,10-11,13-14H2,1-2H3,(H,35,36)/t15-,20+,21-,23+/m0/s1
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n/an/an/an/a 150n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50243975
PNG
(CHEMBL4080226)
Show SMILES COc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(Cl)cn1 |r,c:18|
Show InChI InChI=1S/C25H28ClF3N4O4/c1-14-13-32(20-10-22(36-3)30-12-18(20)26)9-8-21(14)37-17-6-4-16(5-7-17)33-19(11-23(34)35)15(2)24(31-33)25(27,28)29/h4-7,10,12,14-15,19,21H,8-9,11,13H2,1-3H3,(H,34,35)/t14-,15+,19+,21-/m1/s1
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n/an/an/an/a 70n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50243984
PNG
(CHEMBL4063905)
Show SMILES CC(C)c1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:27|
Show InChI InChI=1S/C27H31F4N3O3/c1-16(2)18-4-9-22(28)24(14-18)33-12-10-21(11-13-33)37-20-7-5-19(6-8-20)34-23(15-25(35)36)17(3)26(32-34)27(29,30)31/h4-9,14,16-17,21,23H,10-13,15H2,1-3H3,(H,35,36)/t17-,23-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244006
PNG
(CHEMBL4085928)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccccc2C)cc1 |r,c:8|
Show InChI InChI=1S/C25H28F3N3O3/c1-16-5-3-4-6-21(16)30-13-11-20(12-14-30)34-19-9-7-18(8-10-19)31-22(15-23(32)33)17(2)24(29-31)25(26,27)28/h3-10,17,20,22H,11-15H2,1-2H3,(H,32,33)/t17-,22-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244039
PNG
(CHEMBL4101678)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2nc(C)ccc2F)cc1 |r,c:8|
Show InChI InChI=1S/C24H26F4N4O3/c1-14-3-8-19(25)23(29-14)31-11-9-18(10-12-31)35-17-6-4-16(5-7-17)32-20(13-21(33)34)15(2)22(30-32)24(26,27)28/h3-8,15,18,20H,9-13H2,1-2H3,(H,33,34)/t15-,20-/m0/s1
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n/an/an/an/a 370n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244054
PNG
(CHEMBL4073270)
Show SMILES COc1cc(N2CCC(CC2)Oc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)c(Cl)cn1 |r,c:21|
Show InChI InChI=1S/C24H26ClF3N4O4/c1-14-19(12-22(33)34)32(30-23(14)24(26,27)28)15-3-5-16(6-4-15)36-17-7-9-31(10-8-17)20-11-21(35-2)29-13-18(20)25/h3-6,11,13-14,17,19H,7-10,12H2,1-2H3,(H,33,34)/t14-,19-/m0/s1
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n/an/an/an/a 110n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244055
PNG
(CHEMBL4061175)
Show SMILES COc1ccc(F)c(c1)N1CC[C@@H](Oc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)[C@H](F)C1 |r,c:23|
Show InChI InChI=1S/C25H26F5N3O4/c1-14-20(12-23(34)35)33(31-24(14)25(28,29)30)15-3-5-16(6-4-15)37-22-9-10-32(13-19(22)27)21-11-17(36-2)7-8-18(21)26/h3-8,11,14,19-20,22H,9-10,12-13H2,1-2H3,(H,34,35)/t14-,19+,20-,22+/m0/s1
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n/an/an/an/a 70n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244068
PNG
(CHEMBL4076882)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(C)ccc2F)cc1 |r,c:8|
Show InChI InChI=1S/C25H27F4N3O3/c1-15-3-8-20(26)22(13-15)31-11-9-19(10-12-31)35-18-6-4-17(5-7-18)32-21(14-23(33)34)16(2)24(30-32)25(27,28)29/h3-8,13,16,19,21H,9-12,14H2,1-2H3,(H,33,34)/t16-,21-/m0/s1
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n/an/an/an/a 440n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244085
PNG
(CHEMBL4060840)
Show SMILES COc1ccc(Cl)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:26|
Show InChI InChI=1S/C25H27ClF3N3O4/c1-15-21(14-23(33)34)32(30-24(15)25(27,28)29)16-3-5-17(6-4-16)36-18-9-11-31(12-10-18)22-13-19(35-2)7-8-20(22)26/h3-8,13,15,18,21H,9-12,14H2,1-2H3,(H,33,34)/t15-,21-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50243998
PNG
(CHEMBL4082133)
Show SMILES CCOc1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:27|
Show InChI InChI=1S/C26H29F4N3O4/c1-3-36-20-8-9-21(27)23(14-20)32-12-10-19(11-13-32)37-18-6-4-17(5-7-18)33-22(15-24(34)35)16(2)25(31-33)26(28,29)30/h4-9,14,16,19,22H,3,10-13,15H2,1-2H3,(H,34,35)/t16-,22-/m0/s1
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n/an/an/an/a 220n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50243999
PNG
(CHEMBL4061053)
Show SMILES COc1cc(C)c(N2CCC(CC2)Oc2ccc(cc2)N2N=C([C@@H](C)[C@@H]2CC(O)=O)C(F)(F)F)c(C)c1 |r,c:23|
Show InChI InChI=1S/C27H32F3N3O4/c1-16-13-22(36-4)14-17(2)25(16)32-11-9-21(10-12-32)37-20-7-5-19(6-8-20)33-23(15-24(34)35)18(3)26(31-33)27(28,29)30/h5-8,13-14,18,21,23H,9-12,15H2,1-4H3,(H,34,35)/t18-,23-/m0/s1
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n/an/an/an/a 3.06E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244003
PNG
(CHEMBL4067111)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2ccc(F)cc2)cc1 |r,c:8|
Show InChI InChI=1S/C24H25F4N3O3/c1-15-21(14-22(32)33)31(29-23(15)24(26,27)28)18-6-8-19(9-7-18)34-20-10-12-30(13-11-20)17-4-2-16(25)3-5-17/h2-9,15,20-21H,10-14H2,1H3,(H,32,33)/t15-,21-/m0/s1
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n/an/an/an/a 2.55E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244029
PNG
(CHEMBL4099189)
Show SMILES C[C@H]1[C@H](CC(O)=O)N(N=C1C(F)(F)F)c1ccc(OC2CCN(CC2)c2cc(C)ccc2C#N)cc1 |r,c:8|
Show InChI InChI=1S/C26H27F3N4O3/c1-16-3-4-18(15-30)23(13-16)32-11-9-21(10-12-32)36-20-7-5-19(6-8-20)33-22(14-24(34)35)17(2)25(31-33)26(27,28)29/h3-8,13,17,21-22H,9-12,14H2,1-2H3,(H,34,35)/t17-,22-/m0/s1
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n/an/an/an/a 680n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244062
PNG
(CHEMBL4088102)
Show SMILES CCOc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(F)cn1 |r,c:19|
Show InChI InChI=1S/C26H30F4N4O4/c1-4-37-23-11-21(19(27)13-31-23)33-10-9-22(15(2)14-33)38-18-7-5-17(6-8-18)34-20(12-24(35)36)16(3)25(32-34)26(28,29)30/h5-8,11,13,15-16,20,22H,4,9-10,12,14H2,1-3H3,(H,35,36)/t15-,16+,20+,22-/m1/s1
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n/an/an/an/a 280n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244063
PNG
(CHEMBL4104467)
Show SMILES CCOc1cc(N2CC[C@@H](Oc3ccc(cc3)N3N=C([C@@H](C)[C@@H]3CC(O)=O)C(F)(F)F)[C@H](C)C2)c(Cl)cn1 |r,c:19|
Show InChI InChI=1S/C26H30ClF3N4O4/c1-4-37-23-11-21(19(27)13-31-23)33-10-9-22(15(2)14-33)38-18-7-5-17(6-8-18)34-20(12-24(35)36)16(3)25(32-34)26(28,29)30/h5-8,11,13,15-16,20,22H,4,9-10,12,14H2,1-3H3,(H,35,36)/t15-,16+,20+,22-/m1/s1
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n/an/an/an/a 190n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244084
PNG
(CHEMBL4089881)
Show SMILES COc1ccc(F)c(c1)N1CCC(C1)Oc1ccc(cc1)N1C[C@@H](C[C@@H]1CC(O)=O)C(F)(F)F |r|
Show InChI InChI=1S/C24H26F4N2O4/c1-33-19-6-7-21(25)22(12-19)29-9-8-20(14-29)34-18-4-2-16(3-5-18)30-13-15(24(26,27)28)10-17(30)11-23(31)32/h2-7,12,15,17,20H,8-11,13-14H2,1H3,(H,31,32)/t15-,17-,20?/m1/s1
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n/an/an/an/a 2.83E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50243997
PNG
(CHEMBL4092937)
Show SMILES CCc1ccc(F)c(c1)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:26|
Show InChI InChI=1S/C26H29F4N3O3/c1-3-17-4-9-21(27)23(14-17)32-12-10-20(11-13-32)36-19-7-5-18(6-8-19)33-22(15-24(34)35)16(2)25(31-33)26(28,29)30/h4-9,14,16,20,22H,3,10-13,15H2,1-2H3,(H,34,35)/t16-,22-/m0/s1
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n/an/an/an/a 450n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(Homo sapiens (Human))		BDBM50244002
PNG
(CHEMBL4061146)
Show SMILES COc1ccc(cc1F)N1CCC(CC1)Oc1ccc(cc1)N1N=C([C@@H](C)[C@@H]1CC(O)=O)C(F)(F)F |r,c:26|
Show InChI InChI=1S/C25H27F4N3O4/c1-15-21(14-23(33)34)32(30-24(15)25(27,28)29)16-3-6-18(7-4-16)36-19-9-11-31(12-10-19)17-5-8-22(35-2)20(26)13-17/h3-8,13,15,19,21H,9-12,14H2,1-2H3,(H,33,34)/t15-,21-/m0/s1
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n/an/an/an/a 3.62E+3n/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR40 expressed in CHOA12 cells assessed as induction of Ca2+ mobilization by FLIPR assay

J Med Chem 61: 681-694 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00982
BindingDB Entry DOI: 10.7270/Q24T6MTM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%