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PubMed code 25082125

Compile data set for download or QSAR
Found 12 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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50100544
PNG
(CHEMBL3321835)
Show SMILES CN(C1CCN(CC1)C(=O)OC(C)(C)C)c1ncnc2c(csc12)-c1ccc(cc1F)S(C)(=O)=O
Show InChI InChI=1S/C24H29FN4O4S2/c1-24(2,3)33-23(30)29-10-8-15(9-11-29)28(4)22-21-20(26-14-27-22)18(13-34-21)17-7-6-16(12-19(17)25)35(5,31)32/h6-7,12-15H,8-11H2,1-5H3
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PubMed
n/an/a 7.69E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50100548
PNG
(CHEMBL3321832)
Show SMILES CC(C)C(=O)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H28N4O3S2/c1-15(2)23(28)27-11-9-17(10-12-27)26(3)22-21-20(24-14-25-22)19(13-31-21)16-5-7-18(8-6-16)32(4,29)30/h5-8,13-15,17H,9-12H2,1-4H3
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n/an/an/an/a 781n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50100545
PNG
(CHEMBL3321838)
Show SMILES CC(C)C(=O)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1F)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN4O3S2/c1-14(2)23(29)28-9-7-15(8-10-28)27(3)22-21-20(25-13-26-22)18(12-32-21)17-6-5-16(11-19(17)24)33(4,30)31/h5-6,11-15H,7-10H2,1-4H3
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n/an/an/an/a 140n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50100547
PNG
(CHEMBL3321834)
Show SMILES CC(C)S(=O)(=O)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H28N4O4S3/c1-15(2)33(29,30)26-11-9-17(10-12-26)25(3)22-21-20(23-14-24-22)19(13-31-21)16-5-7-18(8-6-16)32(4,27)28/h5-8,13-15,17H,9-12H2,1-4H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50100555
PNG
(CHEMBL3321826)
Show SMILES CN(C1CCN(CC1)C(=O)OC(C)(C)C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H30N4O4S2/c1-24(2,3)32-23(29)28-12-10-17(11-13-28)27(4)22-21-20(25-15-26-22)19(14-33-21)16-6-8-18(9-7-16)34(5,30)31/h6-9,14-15,17H,10-13H2,1-5H3
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n/an/an/an/a 39n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50100544
PNG
(CHEMBL3321835)
Show SMILES CN(C1CCN(CC1)C(=O)OC(C)(C)C)c1ncnc2c(csc12)-c1ccc(cc1F)S(C)(=O)=O
Show InChI InChI=1S/C24H29FN4O4S2/c1-24(2,3)33-23(30)29-10-8-15(9-11-29)28(4)22-21-20(26-14-27-22)18(13-34-21)17-7-6-16(12-19(17)25)35(5,31)32/h6-7,12-15H,8-11H2,1-5H3
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n/an/an/an/a 3n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50100554
PNG
(CHEMBL3321827)
Show SMILES CCc1cnc(nc1)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H28N6O2S2/c1-4-17-13-26-25(27-14-17)31-11-9-19(10-12-31)30(2)24-23-22(28-16-29-24)21(15-34-23)18-5-7-20(8-6-18)35(3,32)33/h5-8,13-16,19H,4,9-12H2,1-3H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50100546
PNG
(CHEMBL3321837)
Show SMILES CN(C1CCN(CC1)C(=O)OC1(C)CC1)c1ncnc2c(csc12)-c1ccc(cc1F)S(C)(=O)=O
Show InChI InChI=1S/C24H27FN4O4S2/c1-24(8-9-24)33-23(30)29-10-6-15(7-11-29)28(2)22-21-20(26-14-27-22)18(13-34-21)17-5-4-16(12-19(17)25)35(3,31)32/h4-5,12-15H,6-11H2,1-3H3
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n/an/an/an/a 26n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50100550
PNG
(CHEMBL3321830)
Show SMILES CC(C)OC(=O)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H28N4O4S2/c1-15(2)31-23(28)27-11-9-17(10-12-27)26(3)22-21-20(24-14-25-22)19(13-32-21)16-5-7-18(8-6-16)33(4,29)30/h5-8,13-15,17H,9-12H2,1-4H3
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n/an/an/an/a 82n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50100549
PNG
(CHEMBL3321831)
Show SMILES CN(C1CCN(CC1)C(=O)C1CC1)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H26N4O3S2/c1-26(17-9-11-27(12-10-17)23(28)16-3-4-16)22-21-20(24-14-25-22)19(13-31-21)15-5-7-18(8-6-15)32(2,29)30/h5-8,13-14,16-17H,3-4,9-12H2,1-2H3
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n/an/an/an/a 173n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50100551
PNG
(CHEMBL3321829)
Show SMILES CCc1cnc(nc1)N1CCC(CC1)Oc1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H25N5O3S2/c1-3-16-12-25-24(26-13-16)29-10-8-18(9-11-29)32-23-22-21(27-15-28-23)20(14-33-22)17-4-6-19(7-5-17)34(2,30)31/h4-7,12-15,18H,3,8-11H2,1-2H3
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n/an/an/an/a 240n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50100552
PNG
(CHEMBL3321828)
Show SMILES CC(C)(C)OC(=O)N1CCC(CC1)Oc1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H27N3O5S2/c1-23(2,3)31-22(27)26-11-9-16(10-12-26)30-21-20-19(24-14-25-21)18(13-32-20)15-5-7-17(8-6-15)33(4,28)29/h5-8,13-14,16H,9-12H2,1-4H3
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n/an/an/an/a 100n/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in CHO-K1 cells after 24 hrs by CRE-luciferase assay


Bioorg Med Chem Lett 24: 4281-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.020
BindingDB Entry DOI: 10.7270/Q29S1SSJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%