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PubMed code 23177788

Compile data set for download or QSAR
Found 9 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
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50423974
PNG
(CHEMBL2313408)
Show SMILES CS(=O)(=O)c1ccc(NCc2cnn(c2)C2CCN(CC2)C(=O)OC2CCC2)c(F)c1
Show InChI InChI=1S/C21H27FN4O4S/c1-31(28,29)18-5-6-20(19(22)11-18)23-12-15-13-24-26(14-15)16-7-9-25(10-8-16)21(27)30-17-3-2-4-17/h5-6,11,13-14,16-17,23H,2-4,7-10,12H2,1H3
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n/an/an/an/a 462n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells co-expressing CRE beta-lactamase assessed as cAMP accumulation by HTRF assay

Bioorg Med Chem Lett 23: 194-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.119
BindingDB Entry DOI: 10.7270/Q2H996H0
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50423973
PNG
(CHEMBL2313407)
Show SMILES CC(C)COC(=O)N1CCC(CC1)n1cc(CNc2ccc(cc2F)S(C)(=O)=O)cn1
Show InChI InChI=1S/C21H29FN4O4S/c1-15(2)14-30-21(27)25-8-6-17(7-9-25)26-13-16(12-24-26)11-23-20-5-4-18(10-19(20)22)31(3,28)29/h4-5,10,12-13,15,17,23H,6-9,11,14H2,1-3H3
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n/an/an/an/a 240n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells co-expressing CRE beta-lactamase assessed as cAMP accumulation by HTRF assay

Bioorg Med Chem Lett 23: 194-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.119
BindingDB Entry DOI: 10.7270/Q2H996H0
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50423977
PNG
(CHEMBL2313411)
Show SMILES CC(C)OC(=O)N1CCC(CC1)N1Cc2cn(nc2C1)-c1ccc(cc1F)S(C)(=O)=O
Show InChI InChI=1S/C21H27FN4O4S/c1-14(2)30-21(27)24-8-6-16(7-9-24)25-11-15-12-26(23-19(15)13-25)20-5-4-17(10-18(20)22)31(3,28)29/h4-5,10,12,14,16H,6-9,11,13H2,1-3H3
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n/an/an/an/a 864n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells co-expressing CRE beta-lactamase assessed as cAMP accumulation by HTRF assay

Bioorg Med Chem Lett 23: 194-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.119
BindingDB Entry DOI: 10.7270/Q2H996H0
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50423978
PNG
(CHEMBL2313412)
Show SMILES CCc1cnc(nc1)N1CCC(CC1)N1Cc2cn(nc2C1)-c1ccc(cc1F)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN6O2S/c1-3-16-11-25-23(26-12-16)28-8-6-18(7-9-28)29-13-17-14-30(27-21(17)15-29)22-5-4-19(10-20(22)24)33(2,31)32/h4-5,10-12,14,18H,3,6-9,13,15H2,1-2H3
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n/an/an/an/a 83n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells co-expressing CRE beta-lactamase assessed as cAMP accumulation by HTRF assay

Bioorg Med Chem Lett 23: 194-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.119
BindingDB Entry DOI: 10.7270/Q2H996H0
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50423976
PNG
(CHEMBL2313410)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1cc2CN(Cc2n1)c1ccc(cc1F)S(C)(=O)=O
Show InChI InChI=1S/C21H27FN4O4S/c1-14(2)30-21(27)24-8-6-16(7-9-24)26-12-15-11-25(13-19(15)23-26)20-5-4-17(10-18(20)22)31(3,28)29/h4-5,10,12,14,16H,6-9,11,13H2,1-3H3
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n/an/an/an/a 260n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells co-expressing CRE beta-lactamase assessed as cAMP accumulation by HTRF assay

Bioorg Med Chem Lett 23: 194-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.119
BindingDB Entry DOI: 10.7270/Q2H996H0
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50423972
PNG
(CHEMBL2313406)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1cc(CNc2ccc(nc2C)S(C)(=O)=O)cn1
Show InChI InChI=1S/C20H29N5O4S/c1-14(2)29-20(26)24-9-7-17(8-10-24)25-13-16(12-22-25)11-21-18-5-6-19(23-15(18)3)30(4,27)28/h5-6,12-14,17,21H,7-11H2,1-4H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells co-expressing CRE beta-lactamase assessed as cAMP accumulation by HTRF assay

Bioorg Med Chem Lett 23: 194-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.119
BindingDB Entry DOI: 10.7270/Q2H996H0
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50423975
PNG
(CHEMBL2313409)
Show SMILES CCc1cnc(OC(=O)N2CCC(CC2)n2cc(CNc3ccc(cc3F)S(C)(=O)=O)cn2)nc1
Show InChI InChI=1S/C23H27FN6O4S/c1-3-16-11-26-22(27-12-16)34-23(31)29-8-6-18(7-9-29)30-15-17(14-28-30)13-25-21-5-4-19(10-20(21)24)35(2,32)33/h4-5,10-12,14-15,18,25H,3,6-9,13H2,1-2H3
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n/an/an/an/a 47n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells co-expressing CRE beta-lactamase assessed as cAMP accumulation by HTRF assay

Bioorg Med Chem Lett 23: 194-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.119
BindingDB Entry DOI: 10.7270/Q2H996H0
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50423979
PNG
(CHEMBL2313413)
Show SMILES CCc1cnc(nc1)N1CCC(CC1)[N+]1([O-])Cc2cn(nc2C1)-c1ccc(cc1F)S(C)(=O)=O
Show InChI InChI=1S/C23H27FN6O3S/c1-3-16-11-25-23(26-12-16)28-8-6-18(7-9-28)30(31)14-17-13-29(27-21(17)15-30)22-5-4-19(10-20(22)24)34(2,32)33/h4-5,10-13,18H,3,6-9,14-15H2,1-2H3
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n/an/an/an/a 498n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells co-expressing CRE beta-lactamase assessed as cAMP accumulation by HTRF assay

Bioorg Med Chem Lett 23: 194-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.119
BindingDB Entry DOI: 10.7270/Q2H996H0
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Homo sapiens (Human))		BDBM50423971
PNG
(CHEMBL2313405)
Show SMILES CC(C)OC(=O)N1CCC(CC1)n1cc(CNc2ccc(cc2F)S(C)(=O)=O)cn1
Show InChI InChI=1S/C20H27FN4O4S/c1-14(2)29-20(26)24-8-6-16(7-9-24)25-13-15(12-23-25)11-22-19-5-4-17(10-18(19)21)30(3,27)28/h4-5,10,12-14,16,22H,6-9,11H2,1-3H3
PDB

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n/an/an/an/a 181n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells co-expressing CRE beta-lactamase assessed as cAMP accumulation by HTRF assay

Bioorg Med Chem Lett 23: 194-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.119
BindingDB Entry DOI: 10.7270/Q2H996H0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%