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Compile Data Set for Download or QSAR

Found 70 hits with Last Name = 'hinchey' and Initial = 't'   
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
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429120
PNG
(CHEMBL2336239)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2F)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C22H22ClFN4O2/c1-14-19(22(27(2)26-14)30-18-10-5-8-16(23)20(18)24)21(29)28-12-4-3-9-17(28)15-7-6-11-25-13-15/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3
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n/an/an/an/a 5.78E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429121
PNG
(CHEMBL2336238)
Show SMILES COc1cccc(c1)-n1nnc(C2CC2)c1C(=O)N(C)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H19N5O2/c1-25(16-10-6-14(13-22)7-11-16)21(27)20-19(15-8-9-15)23-24-26(20)17-4-3-5-18(12-17)28-2/h3-7,10-12,15H,8-9H2,1-2H3
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n/an/an/an/a 212n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
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n/an/an/an/a 75n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50414955
PNG
(CHEMBL576138)
Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3
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n/an/an/an/a 457n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429122
PNG
(CHEMBL2336237)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cccnc1)C1CCOC1
Show InChI InChI=1S/C22H22Cl2N4O3/c1-14-19(22(27(2)26-14)31-18-7-3-6-17(23)20(18)24)21(29)28(16-8-10-30-13-16)12-15-5-4-9-25-11-15/h3-7,9,11,16H,8,10,12-13H2,1-2H3
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n/an/an/an/a 1.08E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429123
PNG
(CHEMBL2336236)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cccnc1)C1CC1
Show InChI InChI=1S/C21H20Cl2N4O2/c1-13-18(20(28)27(15-8-9-15)12-14-5-4-10-24-11-14)21(26(2)25-13)29-17-7-3-6-16(22)19(17)23/h3-7,10-11,15H,8-9,12H2,1-2H3
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n/an/an/an/a 1.02E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429124
PNG
(CHEMBL2336235)
Show SMILES CN(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H18Cl2N4O2/c1-12-16(18(26)24(2)11-13-6-5-9-22-10-13)19(25(3)23-12)27-15-8-4-7-14(20)17(15)21/h4-10H,11H2,1-3H3
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n/an/an/an/a 922n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429125
PNG
(CHEMBL2336234)
Show SMILES CCC(C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c1-5-14(2)28(13-16-8-7-11-25-12-16)21(29)19-15(3)26-27(4)22(19)30-18-10-6-9-17(23)20(18)24/h6-12,14H,5,13H2,1-4H3
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n/an/an/an/a 70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429126
PNG
(CHEMBL2336233)
Show SMILES CC(C)N(Cc1ccc(C)nc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c1-13(2)28(12-16-10-9-14(3)25-11-16)21(29)19-15(4)26-27(5)22(19)30-18-8-6-7-17(23)20(18)24/h6-11,13H,12H2,1-5H3
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n/an/an/an/a 49n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429127
PNG
(CHEMBL2331604)
Show SMILES CC(C)N(Cc1cncs1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H20Cl2N4O2S/c1-11(2)25(9-13-8-22-10-28-13)18(26)16-12(3)23-24(4)19(16)27-15-7-5-6-14(20)17(15)21/h5-8,10-11H,9H2,1-4H3
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n/an/an/an/a 60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429128
PNG
(CHEMBL2336232)
Show SMILES CC(C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H22Cl2N4O2/c1-13(2)27(12-15-7-6-10-24-11-15)20(28)18-14(3)25-26(4)21(18)29-17-9-5-8-16(22)19(17)23/h5-11,13H,12H2,1-4H3
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n/an/an/an/a 33n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429129
PNG
(CHEMBL2336231)
Show SMILES CCN(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H20Cl2N4O2/c1-4-26(12-14-7-6-10-23-11-14)19(27)17-13(2)24-25(3)20(17)28-16-9-5-8-15(21)18(16)22/h5-11H,4,12H2,1-3H3
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n/an/an/an/a 105n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429130
PNG
(CHEMBL2336230)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCn2cncc2C1
Show InChI InChI=1S/C18H17Cl2N5O2/c1-11-15(17(26)24-6-7-25-10-21-8-12(25)9-24)18(23(2)22-11)27-14-5-3-4-13(19)16(14)20/h3-5,8,10H,6-7,9H2,1-2H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429131
PNG
(CHEMBL2336229)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1Cc2cccnc2C1
Show InChI InChI=1S/C19H16Cl2N4O2/c1-11-16(18(26)25-9-12-5-4-8-22-14(12)10-25)19(24(2)23-11)27-15-7-3-6-13(20)17(15)21/h3-8H,9-10H2,1-2H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429134
PNG
(CHEMBL2336226)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCCC1c1ccccc1C
Show InChI InChI=1S/C24H25Cl2N3O2/c1-15-9-4-5-10-17(15)19-12-6-7-14-29(19)23(30)21-16(2)27-28(3)24(21)31-20-13-8-11-18(25)22(20)26/h4-5,8-11,13,19H,6-7,12,14H2,1-3H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429135
PNG
(CHEMBL2336225)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCCC1c1ccncc1
Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-19(22(27(2)26-14)30-18-8-5-6-16(23)20(18)24)21(29)28-13-4-3-7-17(28)15-9-11-25-12-10-15/h5-6,8-12,17H,3-4,7,13H2,1-2H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429136
PNG
(CHEMBL2336224)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCCC1c1ccccn1
Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-19(22(27(2)26-14)30-18-11-7-8-15(23)20(18)24)21(29)28-13-6-4-10-17(28)16-9-3-5-12-25-16/h3,5,7-9,11-12,17H,4,6,10,13H2,1-2H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429137
PNG
(CHEMBL2336223)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC[C@H]1c1cccnc1
Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-19(22(27(2)26-14)30-18-10-5-8-16(23)20(18)24)21(29)28-12-4-3-9-17(28)15-7-6-11-25-13-15/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3/t17-/m0/s1
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429138
PNG
(CHEMBL2336222)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC[C@@H]1c1cccnc1
Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-19(22(27(2)26-14)30-18-10-5-8-16(23)20(18)24)21(29)28-12-4-3-9-17(28)15-7-6-11-25-13-15/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3/t17-/m1/s1
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n/an/an/an/a 159n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429139
PNG
(CHEMBL2336221)
Show SMILES Cc1nn(C)c(Oc2cccnc2)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C21H23N5O2/c1-15-19(21(25(2)24-15)28-17-8-6-11-23-14-17)20(27)26-12-4-3-9-18(26)16-7-5-10-22-13-16/h5-8,10-11,13-14,18H,3-4,9,12H2,1-2H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429140
PNG
(CHEMBL2336220)
Show SMILES Cc1nn(C)c(Oc2ccccc2)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C22H24N4O2/c1-16-20(22(25(2)24-16)28-18-10-4-3-5-11-18)21(27)26-14-7-6-12-19(26)17-9-8-13-23-15-17/h3-5,8-11,13,15,19H,6-7,12,14H2,1-2H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429141
PNG
(CHEMBL2336219)
Show SMILES Cc1nn(C)c(Oc2ccc(cc2)C(N)=O)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C23H25N5O3/c1-15-20(22(30)28-13-4-3-7-19(28)17-6-5-12-25-14-17)23(27(2)26-15)31-18-10-8-16(9-11-18)21(24)29/h5-6,8-12,14,19H,3-4,7,13H2,1-2H3,(H2,24,29)
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429142
PNG
(CHEMBL2336218)
Show SMILES COc1cccc(Oc2c(C(=O)N3CCCCC3c3cccnc3)c(C)nn2C)c1
Show InChI InChI=1S/C23H26N4O3/c1-16-21(23(26(2)25-16)30-19-10-6-9-18(14-19)29-3)22(28)27-13-5-4-11-20(27)17-8-7-12-24-15-17/h6-10,12,14-15,20H,4-5,11,13H2,1-3H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429143
PNG
(CHEMBL2336217)
Show SMILES Cc1nn(C)c(Oc2ccccc2C#N)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C23H23N5O2/c1-16-21(23(27(2)26-16)30-20-11-4-3-8-17(20)14-24)22(29)28-13-6-5-10-19(28)18-9-7-12-25-15-18/h3-4,7-9,11-12,15,19H,5-6,10,13H2,1-2H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429144
PNG
(CHEMBL2336216)
Show SMILES Cc1nn(C)c(Oc2ccccc2C(F)(F)F)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C23H23F3N4O2/c1-15-20(21(31)30-13-6-5-10-18(30)16-8-7-12-27-14-16)22(29(2)28-15)32-19-11-4-3-9-17(19)23(24,25)26/h3-4,7-9,11-12,14,18H,5-6,10,13H2,1-2H3
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n/an/an/an/a 352n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429145
PNG
(CHEMBL2336215)
Show SMILES Cc1nn(C)c(Oc2ccc(C)cc2Cl)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C23H25ClN4O2/c1-15-9-10-20(18(24)13-15)30-23-21(16(2)26-27(23)3)22(29)28-12-5-4-8-19(28)17-7-6-11-25-14-17/h6-7,9-11,13-14,19H,4-5,8,12H2,1-3H3
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n/an/an/an/a 3.83E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429146
PNG
(CHEMBL2336214)
Show SMILES Cc1nn(C)c(Oc2cc(Cl)ccc2Cl)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-20(22(27(2)26-14)30-19-12-16(23)8-9-17(19)24)21(29)28-11-4-3-7-18(28)15-6-5-10-25-13-15/h5-6,8-10,12-13,18H,3-4,7,11H2,1-2H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429147
PNG
(CHEMBL2336213)
Show SMILES Cc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-20(22(27(2)26-14)30-19-9-8-16(23)12-17(19)24)21(29)28-11-4-3-7-18(28)15-6-5-10-25-13-15/h5-6,8-10,12-13,18H,3-4,7,11H2,1-2H3
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n/an/an/an/a 549n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429148
PNG
(CHEMBL2336212)
Show SMILES Cc1nn(C)c(Oc2cccc(F)c2F)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C22H22F2N4O2/c1-14-19(22(27(2)26-14)30-18-10-5-8-16(23)20(18)24)21(29)28-12-4-3-9-17(28)15-7-6-11-25-13-15/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3
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n/an/an/an/a 3.18E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429137
PNG
(CHEMBL2336223)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC[C@H]1c1cccnc1
Show InChI InChI=1S/C22H22Cl2N4O2/c1-14-19(22(27(2)26-14)30-18-10-5-8-16(23)20(18)24)21(29)28-12-4-3-9-17(28)15-7-6-11-25-13-15/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3/t17-/m0/s1
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n/an/an/an/a 231n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429149
PNG
(CHEMBL2336210)
Show SMILES Cc1nn(C)c(Oc2ccccc2Cl)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C22H23ClN4O2/c1-15-20(22(26(2)25-15)29-19-11-4-3-9-17(19)23)21(28)27-13-6-5-10-18(27)16-8-7-12-24-14-16/h3-4,7-9,11-12,14,18H,5-6,10,13H2,1-2H3
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n/an/an/an/a 1.46E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429150
PNG
(CHEMBL2336209)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C22H23ClN4O2/c1-15-20(22(26(2)25-15)29-18-9-5-8-17(23)13-18)21(28)27-12-4-3-10-19(27)16-7-6-11-24-14-16/h5-9,11,13-14,19H,3-4,10,12H2,1-2H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429151
PNG
(CHEMBL2336208)
Show SMILES Cc1nn(C)c(Oc2ccccc2F)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C22H23FN4O2/c1-15-20(22(26(2)25-15)29-19-11-4-3-9-17(19)23)21(28)27-13-6-5-10-18(27)16-8-7-12-24-14-16/h3-4,7-9,11-12,14,18H,5-6,10,13H2,1-2H3
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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 TGR5 receptor in CHO cells assessed as elevation of cAMP level by uninduced cAMP detection method in absence of doxycycline


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429120
PNG
(CHEMBL2336239)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2F)c1C(=O)N1CCCCC1c1cccnc1
Show InChI InChI=1S/C22H22ClFN4O2/c1-14-19(22(27(2)26-14)30-18-10-5-8-16(23)20(18)24)21(29)28-12-4-3-9-17(28)15-7-6-11-25-13-15/h5-8,10-11,13,17H,3-4,9,12H2,1-2H3
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n/an/an/an/a 120n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429121
PNG
(CHEMBL2336238)
Show SMILES COc1cccc(c1)-n1nnc(C2CC2)c1C(=O)N(C)c1ccc(cc1)C#N
Show InChI InChI=1S/C21H19N5O2/c1-25(16-10-6-14(13-22)7-11-16)21(27)20-19(15-8-9-15)23-24-26(20)17-4-3-5-18(12-17)28-2/h3-7,10-12,15H,8-9H2,1-2H3
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n/an/an/an/a 5.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50428101
PNG
(CHEMBL2331648)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O3/c1-2-25-19-26-15-9-10-28(11-14(15)17(27-19)18(24)30)16(29)8-5-12-3-6-13(7-4-12)31-20(21,22)23/h3-4,6-7H,2,5,8-11H2,1H3,(H2,24,30)(H,25,26,27)
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n/an/an/an/a 2.30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50414955
PNG
(CHEMBL576138)
Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3
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n/an/an/an/a 23n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429122
PNG
(CHEMBL2336237)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cccnc1)C1CCOC1
Show InChI InChI=1S/C22H22Cl2N4O3/c1-14-19(22(27(2)26-14)31-18-7-3-6-17(23)20(18)24)21(29)28(16-8-10-30-13-16)12-15-5-4-9-25-11-15/h3-7,9,11,16H,8,10,12-13H2,1-2H3
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n/an/an/an/a 18n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429123
PNG
(CHEMBL2336236)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N(Cc1cccnc1)C1CC1
Show InChI InChI=1S/C21H20Cl2N4O2/c1-13-18(20(28)27(15-8-9-15)12-14-5-4-10-24-11-14)21(26(2)25-13)29-17-7-3-6-16(22)19(17)23/h3-7,10-11,15H,8-9,12H2,1-2H3
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n/an/an/an/a 7.90n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429124
PNG
(CHEMBL2336235)
Show SMILES CN(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H18Cl2N4O2/c1-12-16(18(26)24(2)11-13-6-5-9-22-10-13)19(25(3)23-12)27-15-8-4-7-14(20)17(15)21/h4-10H,11H2,1-3H3
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n/an/an/an/a 14n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429125
PNG
(CHEMBL2336234)
Show SMILES CCC(C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c1-5-14(2)28(13-16-8-7-11-25-12-16)21(29)19-15(3)26-27(4)22(19)30-18-10-6-9-17(23)20(18)24/h6-12,14H,5,13H2,1-4H3
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n/an/an/an/a 2.40n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429126
PNG
(CHEMBL2336233)
Show SMILES CC(C)N(Cc1ccc(C)nc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c1-13(2)28(12-16-10-9-14(3)25-11-16)21(29)19-15(4)26-27(5)22(19)30-18-8-6-7-17(23)20(18)24/h6-11,13H,12H2,1-5H3
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n/an/an/an/a 1.20n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429127
PNG
(CHEMBL2331604)
Show SMILES CC(C)N(Cc1cncs1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C19H20Cl2N4O2S/c1-11(2)25(9-13-8-22-10-28-13)18(26)16-12(3)23-24(4)19(16)27-15-7-5-6-14(20)17(15)21/h5-8,10-11H,9H2,1-4H3
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n/an/an/an/a 1.80n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429128
PNG
(CHEMBL2336232)
Show SMILES CC(C)N(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C21H22Cl2N4O2/c1-13(2)27(12-15-7-6-10-24-11-15)20(28)18-14(3)25-26(4)21(18)29-17-9-5-8-16(22)19(17)23/h5-11,13H,12H2,1-4H3
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n/an/an/an/a 0.300n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429129
PNG
(CHEMBL2336231)
Show SMILES CCN(Cc1cccnc1)C(=O)c1c(C)nn(C)c1Oc1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H20Cl2N4O2/c1-4-26(12-14-7-6-10-23-11-14)19(27)17-13(2)24-25(3)20(17)28-16-9-5-8-15(21)18(16)22/h5-11H,4,12H2,1-3H3
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n/an/an/an/a 1.20n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429130
PNG
(CHEMBL2336230)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCn2cncc2C1
Show InChI InChI=1S/C18H17Cl2N5O2/c1-11-15(17(26)24-6-7-25-10-21-8-12(25)9-24)18(23(2)22-11)27-14-5-3-4-13(19)16(14)20/h3-5,8,10H,6-7,9H2,1-2H3
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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 doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429131
PNG
(CHEMBL2336229)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1Cc2cccnc2C1
Show InChI InChI=1S/C19H16Cl2N4O2/c1-11-16(18(26)25-9-12-5-4-8-22-14(12)10-25)19(24(2)23-11)27-15-7-3-6-13(20)17(15)21/h3-8H,9-10H2,1-2H3
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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 doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429132
PNG
(CHEMBL2336228)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCCC1c1nccn1C
Show InChI InChI=1S/C21H23Cl2N5O2/c1-13-17(21(27(3)25-13)30-16-9-6-7-14(22)18(16)23)20(29)28-11-5-4-8-15(28)19-24-10-12-26(19)2/h6-7,9-10,12,15H,4-5,8,11H2,1-3H3
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n/an/an/an/a 6.40E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429133
PNG
(CHEMBL2336227)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCC1c1cccnc1
Show InChI InChI=1S/C21H20Cl2N4O2/c1-13-18(20(28)27-11-5-8-16(27)14-6-4-10-24-12-14)21(26(2)25-13)29-17-9-3-7-15(22)19(17)23/h3-4,6-7,9-10,12,16H,5,8,11H2,1-2H3
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n/an/an/an/a 393n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (human))
BDBM50429134
PNG
(CHEMBL2336226)
Show SMILES Cc1nn(C)c(Oc2cccc(Cl)c2Cl)c1C(=O)N1CCCCC1c1ccccc1C
Show InChI InChI=1S/C24H25Cl2N3O2/c1-15-9-4-5-10-17(15)19-12-6-7-14-29(19)23(30)21-16(2)27-28(3)24(21)31-20-13-8-11-18(25)22(20)26/h4-5,8-11,13,19H,6-7,12,14H2,1-3H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at doxycycline-promoter regulated overexpressed human TGR5 receptor in CHO cells assessed as elevation of cAMP level by induced-cAMP...


Bioorg Med Chem Lett 23: 1407-11 (2013)

More data for this
Ligand-Target Pair
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