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PubMed code 26288697

Compile data set for download or QSAR
Found 41 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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50122844
PNG
(CHEMBL3622175)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30FN3O4S/c1-30-13-16-11-25-23(26-12-16)27-7-5-17(6-8-27)21-9-19(21)15-31-14-18-3-4-20(10-22(18)24)32(2,28)29/h3-4,10-12,17,19,21H,5-9,13-15H2,1-2H3/t19-,21+/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERG by by patchXpress method


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50122844
PNG
(CHEMBL3622175)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30FN3O4S/c1-30-13-16-11-25-23(26-12-16)27-7-5-17(6-8-27)21-9-19(21)15-31-14-18-3-4-20(10-22(18)24)32(2,28)29/h3-4,10-12,17,19,21H,5-9,13-15H2,1-2H3/t19-,21+/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of human PXR


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50122844
PNG
(CHEMBL3622175)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30FN3O4S/c1-30-13-16-11-25-23(26-12-16)27-7-5-17(6-8-27)21-9-19(21)15-31-14-18-3-4-20(10-22(18)24)32(2,28)29/h3-4,10-12,17,19,21H,5-9,13-15H2,1-2H3/t19-,21+/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122849
PNG
(CHEMBL3622173)
Show SMILES CS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(F)cn2)cc1F |r|
Show InChI InChI=1S/C21H25F2N3O3S/c1-30(27,28)20-3-2-14(8-19(20)23)12-29-13-16-9-18(16)15-4-6-26(7-5-15)21-24-10-17(22)11-25-21/h2-3,8,10-11,15-16,18H,4-7,9,12-13H2,1H3/t16-,18+/m0/s1
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n/an/an/an/a 4.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122932
PNG
(CHEMBL3622167)
Show SMILES CC(C)c1noc(n1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H30FN3O4S/c1-14(2)21-24-22(30-25-21)26-8-6-15(7-9-26)19-10-17(19)13-29-12-16-4-5-18(11-20(16)23)31(3,27)28/h4-5,11,14-15,17,19H,6-10,12-13H2,1-3H3/t17-,19+/m0/s1
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n/an/an/an/a 9.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122838
PNG
(CHEMBL3622176)
Show SMILES COC(C)c1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H32FN3O4S/c1-16(31-2)20-12-26-24(27-13-20)28-8-6-17(7-9-28)22-10-19(22)15-32-14-18-4-5-21(11-23(18)25)33(3,29)30/h4-5,11-13,16-17,19,22H,6-10,14-15H2,1-3H3/t16?,19-,22+/m0/s1
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n/an/an/an/a 4.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122850
PNG
(CHEMBL3622172)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30FN3O4S/c1-30-13-17-11-25-23(26-12-17)27-7-5-18(6-8-27)20-10-19(20)15-31-14-16-3-4-22(21(24)9-16)32(2,28)29/h3-4,9,11-12,18-20H,5-8,10,13-15H2,1-2H3/t19-,20+/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122875
PNG
(CHEMBL3622170)
Show SMILES COc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28FN3O4S/c1-29-18-11-24-22(25-12-18)26-7-5-15(6-8-26)20-9-17(20)14-30-13-16-3-4-19(10-21(16)23)31(2,27)28/h3-4,10-12,15,17,20H,5-9,13-14H2,1-2H3/t17-,20+/m0/s1
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n/an/an/an/a 4.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122909
PNG
(CHEMBL3622169)
Show SMILES CC1(CC1)OC(=O)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)-n1cnnn1 |r|
Show InChI InChI=1S/C22H28FN5O3/c1-22(6-7-22)31-21(29)27-8-4-15(5-9-27)19-10-17(19)13-30-12-16-2-3-18(11-20(16)23)28-14-24-25-26-28/h2-3,11,14-15,17,19H,4-10,12-13H2,1H3/t17-,19+/m0/s1
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n/an/an/an/a 4.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122755
PNG
(CHEMBL3622180)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1cc(F)c(c(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H29F2N3O4S/c1-31-12-16-10-26-23(27-11-16)28-5-3-17(4-6-28)19-9-18(19)14-32-13-15-7-20(24)22(21(25)8-15)33(2,29)30/h7-8,10-11,17-19H,3-6,9,12-14H2,1-2H3/t18-,19+/m0/s1
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n/an/an/an/a 5.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122838
PNG
(CHEMBL3622176)
Show SMILES COC(C)c1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H32FN3O4S/c1-16(31-2)20-12-26-24(27-13-20)28-8-6-17(7-9-28)22-10-19(22)15-32-14-18-4-5-21(11-23(18)25)33(3,29)30/h4-5,11-13,16-17,19,22H,6-10,14-15H2,1-3H3/t16?,19-,22+/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122850
PNG
(CHEMBL3622172)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30FN3O4S/c1-30-13-17-11-25-23(26-12-17)27-7-5-18(6-8-27)20-10-19(20)15-31-14-16-3-4-22(21(24)9-16)32(2,28)29/h3-4,9,11-12,18-20H,5-8,10,13-15H2,1-2H3/t19-,20+/m0/s1
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n/an/an/an/a 5.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122870
PNG
(CHEMBL3622171)
Show SMILES CCOc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30FN3O4S/c1-3-31-19-12-25-23(26-13-19)27-8-6-17(7-9-27)20-11-18(20)15-30-14-16-4-5-22(21(24)10-16)32(2,28)29/h4-5,10,12-13,17-18,20H,3,6-9,11,14-15H2,1-2H3/t18-,20+/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122875
PNG
(CHEMBL3622170)
Show SMILES COc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28FN3O4S/c1-29-18-11-24-22(25-12-18)26-7-5-15(6-8-26)20-9-17(20)14-30-13-16-3-4-19(10-21(16)23)31(2,27)28/h3-4,10-12,15,17,20H,5-9,13-14H2,1-2H3/t17-,20+/m0/s1
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n/an/an/an/a 1.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122931
PNG
(CHEMBL3622168)
Show SMILES CC(C)c1noc(n1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)-n1cnnn1 |r|
Show InChI InChI=1S/C22H28FN7O2/c1-14(2)21-25-22(32-26-21)29-7-5-15(6-8-29)19-9-17(19)12-31-11-16-3-4-18(10-20(16)23)30-13-24-27-28-30/h3-4,10,13-15,17,19H,5-9,11-12H2,1-2H3/t17-,19+/m0/s1
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n/an/an/an/a 4.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122755
PNG
(CHEMBL3622180)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1cc(F)c(c(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H29F2N3O4S/c1-31-12-16-10-26-23(27-11-16)28-5-3-17(4-6-28)19-9-18(19)14-32-13-15-7-20(24)22(21(25)8-15)33(2,29)30/h7-8,10-11,17-19H,3-6,9,12-14H2,1-2H3/t18-,19+/m0/s1
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n/an/an/an/a 4.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122756
PNG
(CHEMBL3622179)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)-n1cnnn1 |r|
Show InChI InChI=1S/C23H28FN7O2/c1-32-12-17-10-25-23(26-11-17)30-6-4-18(5-7-30)20-9-19(20)14-33-13-16-2-3-22(21(24)8-16)31-15-27-28-29-31/h2-3,8,10-11,15,18-20H,4-7,9,12-14H2,1H3/t19-,20+/m0/s1
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n/an/an/an/a 1.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122831
PNG
(CHEMBL3622177)
Show SMILES CCS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(COC)cn2)c(F)c1 |r|
Show InChI InChI=1S/C24H32FN3O4S/c1-3-33(29,30)21-5-4-19(23(25)11-21)15-32-16-20-10-22(20)18-6-8-28(9-7-18)24-26-12-17(13-27-24)14-31-2/h4-5,11-13,18,20,22H,3,6-10,14-16H2,1-2H3/t20-,22+/m0/s1
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n/an/an/an/a 7.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122838
PNG
(CHEMBL3622176)
Show SMILES COC(C)c1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H32FN3O4S/c1-16(31-2)20-12-26-24(27-13-20)28-8-6-17(7-9-28)22-10-19(22)15-32-14-18-4-5-21(11-23(18)25)33(3,29)30/h4-5,11-13,16-17,19,22H,6-10,14-15H2,1-3H3/t16?,19-,22+/m0/s1
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n/an/an/an/a 3.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122844
PNG
(CHEMBL3622175)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30FN3O4S/c1-30-13-16-11-25-23(26-12-16)27-7-5-17(6-8-27)21-9-19(21)15-31-14-18-3-4-20(10-22(18)24)32(2,28)29/h3-4,10-12,17,19,21H,5-9,13-15H2,1-2H3/t19-,21+/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122909
PNG
(CHEMBL3622169)
Show SMILES CC1(CC1)OC(=O)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)-n1cnnn1 |r|
Show InChI InChI=1S/C22H28FN5O3/c1-22(6-7-22)31-21(29)27-8-4-15(5-9-27)19-10-17(19)13-30-12-16-2-3-18(11-20(16)23)28-14-24-25-26-28/h2-3,11,14-15,17,19H,4-10,12-13H2,1H3/t17-,19+/m0/s1
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n/an/an/an/a 15n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122933
PNG
(CHEMBL3622166)
Show SMILES CCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cn1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H30N4O3S/c1-3-16-11-24-22(25-12-16)26-8-6-17(7-9-26)21-10-18(21)14-29-15-19-4-5-20(13-23-19)30(2,27)28/h4-5,11-13,17-18,21H,3,6-10,14-15H2,1-2H3/t18-,21+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122838
PNG
(CHEMBL3622176)
Show SMILES COC(C)c1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C24H32FN3O4S/c1-16(31-2)20-12-26-24(27-13-20)28-8-6-17(7-9-28)22-10-19(22)15-32-14-18-4-5-21(11-23(18)25)33(3,29)30/h4-5,11-13,16-17,19,22H,6-10,14-15H2,1-3H3/t16?,19-,22+/m0/s1
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n/an/an/an/a 4.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122846
PNG
(CHEMBL3622174)
Show SMILES CCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30FN3O3S/c1-3-16-12-25-23(26-13-16)27-8-6-18(7-9-27)20-11-19(20)15-30-14-17-4-5-22(21(24)10-17)31(2,28)29/h4-5,10,12-13,18-20H,3,6-9,11,14-15H2,1-2H3/t19-,20+/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122931
PNG
(CHEMBL3622168)
Show SMILES CC(C)c1noc(n1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)-n1cnnn1 |r|
Show InChI InChI=1S/C22H28FN7O2/c1-14(2)21-25-22(32-26-21)29-7-5-15(6-8-29)19-9-17(19)12-31-11-16-3-4-18(10-20(16)23)30-13-24-27-28-30/h3-4,10,13-15,17,19H,5-9,11-12H2,1-2H3/t17-,19+/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122934
PNG
(CHEMBL3622165)
Show SMILES OCCS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)c(F)c1 |r|
Show InChI InChI=1S/C22H27ClFN3O4S/c23-18-11-25-22(26-12-18)27-5-3-15(4-6-27)20-9-17(20)14-31-13-16-1-2-19(10-21(16)24)32(29,30)8-7-28/h1-2,10-12,15,17,20,28H,3-9,13-14H2/t17-,20+/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122934
PNG
(CHEMBL3622165)
Show SMILES OCCS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)c(F)c1 |r|
Show InChI InChI=1S/C22H27ClFN3O4S/c23-18-11-25-22(26-12-18)27-5-3-15(4-6-27)20-9-17(20)14-31-13-16-1-2-19(10-21(16)24)32(29,30)8-7-28/h1-2,10-12,15,17,20,28H,3-9,13-14H2/t17-,20+/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122794
PNG
(CHEMBL3622178)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(CC(=O)N2CCOCC2)cc1F |r|
Show InChI InChI=1S/C28H37FN4O4/c1-35-17-21-15-30-28(31-16-21)33-6-4-22(5-7-33)25-14-24(25)19-37-18-23-3-2-20(12-26(23)29)13-27(34)32-8-10-36-11-9-32/h2-3,12,15-16,22,24-25H,4-11,13-14,17-19H2,1H3/t24-,25+/m0/s1
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n/an/an/an/a 3.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122844
PNG
(CHEMBL3622175)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30FN3O4S/c1-30-13-16-11-25-23(26-12-16)27-7-5-17(6-8-27)21-9-19(21)15-31-14-18-3-4-20(10-22(18)24)32(2,28)29/h3-4,10-12,17,19,21H,5-9,13-15H2,1-2H3/t19-,21+/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122756
PNG
(CHEMBL3622179)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)-n1cnnn1 |r|
Show InChI InChI=1S/C23H28FN7O2/c1-32-12-17-10-25-23(26-11-17)30-6-4-18(5-7-30)20-9-19(20)14-33-13-16-2-3-22(21(24)8-16)31-15-27-28-29-31/h2-3,8,10-11,15,18-20H,4-7,9,12-14H2,1H3/t19-,20+/m0/s1
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n/an/an/an/a 3.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122831
PNG
(CHEMBL3622177)
Show SMILES CCS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(COC)cn2)c(F)c1 |r|
Show InChI InChI=1S/C24H32FN3O4S/c1-3-33(29,30)21-5-4-19(23(25)11-21)15-32-16-20-10-22(20)18-6-8-28(9-7-18)24-26-12-17(13-27-24)14-31-2/h4-5,11-13,18,20,22H,3,6-10,14-16H2,1-2H3/t20-,22+/m0/s1
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n/an/an/an/a 13n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122936
PNG
(CHEMBL3622181)
Show SMILES CCS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(CC2)c2nc(no2)C(C)C)c(F)c1 |r|
Show InChI InChI=1S/C23H32FN3O4S/c1-4-32(28,29)18-5-6-21(20(24)14-18)30-12-9-17-13-19(17)16-7-10-27(11-8-16)23-25-22(15(2)3)26-31-23/h5-6,14-17,19H,4,7-13H2,1-3H3/t17-,19-/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122933
PNG
(CHEMBL3622166)
Show SMILES CCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cn1)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H30N4O3S/c1-3-16-11-24-22(25-12-16)26-8-6-17(7-9-26)21-10-18(21)14-29-15-19-4-5-20(13-23-19)30(2,27)28/h4-5,11-13,17-18,21H,3,6-10,14-15H2,1-2H3/t18-,21+/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122794
PNG
(CHEMBL3622178)
Show SMILES COCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(CC(=O)N2CCOCC2)cc1F |r|
Show InChI InChI=1S/C28H37FN4O4/c1-35-17-21-15-30-28(31-16-21)33-6-4-22(5-7-33)25-14-24(25)19-37-18-23-3-2-20(12-26(23)29)13-27(34)32-8-10-36-11-9-32/h2-3,12,15-16,22,24-25H,4-11,13-14,17-19H2,1H3/t24-,25+/m0/s1
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n/an/an/an/a 3.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122870
PNG
(CHEMBL3622171)
Show SMILES CCOc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30FN3O4S/c1-3-31-19-12-25-23(26-13-19)27-8-6-17(7-9-27)20-11-18(20)15-30-14-16-4-5-22(21(24)10-16)32(2,28)29/h4-5,10,12-13,17-18,20H,3,6-9,11,14-15H2,1-2H3/t18-,20+/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122846
PNG
(CHEMBL3622174)
Show SMILES CCc1cnc(nc1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(c(F)c1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H30FN3O3S/c1-3-16-12-25-23(26-13-16)27-8-6-18(7-9-27)20-11-19(20)15-30-14-17-4-5-22(21(24)10-17)31(2,28)29/h4-5,10,12-13,18-20H,3,6-9,11,14-15H2,1-2H3/t19-,20+/m0/s1
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n/an/an/an/a 5.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50122935
PNG
(CHEMBL3622164)
Show SMILES CS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)nc1 |r|
Show InChI InChI=1S/C20H25ClN4O3S/c1-29(26,27)18-3-2-17(22-11-18)13-28-12-15-8-19(15)14-4-6-25(7-5-14)20-23-9-16(21)10-24-20/h2-3,9-11,14-15,19H,4-8,12-13H2,1H3/t15-,19+/m0/s1
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n/an/an/an/a 3.60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122935
PNG
(CHEMBL3622164)
Show SMILES CS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(Cl)cn2)nc1 |r|
Show InChI InChI=1S/C20H25ClN4O3S/c1-29(26,27)18-3-2-17(22-11-18)13-28-12-15-8-19(15)14-4-6-25(7-5-14)20-23-9-16(21)10-24-20/h2-3,9-11,14-15,19H,4-8,12-13H2,1H3/t15-,19+/m0/s1
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n/an/an/an/a 8.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122947
PNG
(CHEMBL3622182)
Show SMILES CCS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2nc(no2)C(C)C)c(F)c1 |r|
Show InChI InChI=1S/C23H32FN3O4S/c1-4-32(28,29)19-6-5-17(21(24)12-19)13-30-14-18-11-20(18)16-7-9-27(10-8-16)23-25-22(15(2)3)26-31-23/h5-6,12,15-16,18,20H,4,7-11,13-14H2,1-3H3/t18-,20+/m0/s1
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n/an/an/an/a 0.800n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122849
PNG
(CHEMBL3622173)
Show SMILES CS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(CC2)c2ncc(F)cn2)cc1F |r|
Show InChI InChI=1S/C21H25F2N3O3S/c1-30(27,28)20-3-2-14(8-19(20)23)12-29-13-16-9-18(16)15-4-6-26(7-5-15)21-24-10-17(22)11-25-21/h2-3,8,10-11,15-16,18H,4-7,9,12-13H2,1H3/t16-,18+/m0/s1
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n/an/an/an/a 2.40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))
BDBM50122932
PNG
(CHEMBL3622167)
Show SMILES CC(C)c1noc(n1)N1CCC(CC1)[C@H]1C[C@H]1COCc1ccc(cc1F)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H30FN3O4S/c1-14(2)21-24-22(30-25-21)26-8-6-15(7-9-26)19-10-17(19)13-29-12-16-4-5-18(11-20(16)23)31(3,27)28/h4-5,11,14-15,17,19H,6-10,12-13H2,1-3H3/t17-,19+/m0/s1
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n/an/an/an/a 4.20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO cells by cAMP assay


ACS Med Chem Lett 6: 936-41 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00207
BindingDB Entry DOI: 10.7270/Q2BK1F5K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%