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9 similar compounds to monomer 50428102

Wt: 353.4
BDBM50428094
Wt: 395.4
BDBM50428095
Wt: 367.4
BDBM50428096
Wt: 418.4
BDBM50428097
Wt: 383.4
BDBM50428098
Wt: 381.4
BDBM50428099
Wt: 435.4
BDBM50428100
Wt: 437.4
BDBM50428101
Wt: 453.4
BDBM50428105

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 50428094,50428095,50428096,50428097,50428098,50428099,50428100,50428101,50428105   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50428094
PNG
(CHEMBL2331643)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C19H23N5O2/c1-2-21-19-22-15-10-11-24(12-14(15)17(23-19)18(20)26)16(25)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,20,26)(H,21,22,23)
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n/an/an/an/a 8.32E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


Citation and Details
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...


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


(Rattus norvegicus)
BDBM50428095
PNG
(CHEMBL2331646)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)
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n/an/an/an/a 3.93E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at rat TGR5 expressed in deoxycycline-induced CHO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF com...


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


(Homo sapiens (human))
BDBM50428096
PNG
(CHEMBL2331644)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(C)cc1
Show InChI InChI=1S/C20H25N5O2/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-8-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H2,21,27)(H,22,23,24)
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n/an/an/an/a 3.78E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


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


(Homo sapiens (human))
BDBM50428097
PNG
(CHEMBL2331652)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(nc1)C(C)(F)F
Show InChI InChI=1S/C20H24F2N6O2/c1-3-24-19-26-14-8-9-28(11-13(14)17(27-19)18(23)30)16(29)7-5-12-4-6-15(25-10-12)20(2,21)22/h4,6,10H,3,5,7-9,11H2,1-2H3,(H2,23,30)(H,24,26,27)
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n/an/an/an/a 2.99E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


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


(Homo sapiens (human))
BDBM50428098
PNG
(CHEMBL2331647)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC)cc1
Show InChI InChI=1S/C20H25N5O3/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-6-13-4-7-14(28-2)8-5-13/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,21,27)(H,22,23,24)
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n/an/an/an/a 2.43E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


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


(Homo sapiens (human))
BDBM50428094
PNG
(CHEMBL2331643)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccccc1
Show InChI InChI=1S/C19H23N5O2/c1-2-21-19-22-15-10-11-24(12-14(15)17(23-19)18(20)26)16(25)9-8-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,20,26)(H,21,22,23)
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n/an/an/an/a 257n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


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


(Homo sapiens (human))
BDBM50428099
PNG
(CHEMBL2331645)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(CC)cc1
Show InChI InChI=1S/C21H27N5O2/c1-3-14-5-7-15(8-6-14)9-10-18(27)26-12-11-17-16(13-26)19(20(22)28)25-21(24-17)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H2,22,28)(H,23,24,25)
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n/an/an/an/a 215n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


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


(Homo sapiens (human))
BDBM50428095
PNG
(CHEMBL2331646)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)
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n/an/an/an/a 158n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


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


(Homo sapiens (human))
BDBM50428100
PNG
(CHEMBL2331650)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(CC(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N5O2/c1-2-26-20-27-16-9-10-29(12-15(16)18(28-20)19(25)31)17(30)8-7-13-3-5-14(6-4-13)11-21(22,23)24/h3-6H,2,7-12H2,1H3,(H2,25,31)(H,26,27,28)
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n/an/an/an/a 154n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


Citation and Details
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 147n/an/an/an/a


TBA

Assay Description
Agonist activity at human recombinant TGR5 expressed in NCI-H716 cells assessed as increase in intracellular cAMP measured after 1 hr


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


(Homo sapiens (human))
BDBM50428098
PNG
(CHEMBL2331647)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(OC)cc1
Show InChI InChI=1S/C20H25N5O3/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-6-13-4-7-14(28-2)8-5-13/h4-5,7-8H,3,6,9-12H2,1-2H3,(H2,21,27)(H,22,23,24)
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n/an/an/an/a 137n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


Citation and Details
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 110n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 in human PBMC cells assessed as increase in intracellular cAMP measured after 1 hr by human whole blood assay


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


(Homo sapiens (human))
BDBM50428096
PNG
(CHEMBL2331644)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(C)cc1
Show InChI InChI=1S/C20H25N5O2/c1-3-22-20-23-16-10-11-25(12-15(16)18(24-20)19(21)27)17(26)9-8-14-6-4-13(2)5-7-14/h4-7H,3,8-12H2,1-2H3,(H2,21,27)(H,22,23,24)
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n/an/an/an/a 78n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


Citation and Details
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


TBA

Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


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


(Homo sapiens (human))
BDBM50428105
PNG
(CHEMBL2331649)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O2S/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 48n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in uninduced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF co...


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


(Homo sapiens (human))
BDBM50428097
PNG
(CHEMBL2331652)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(nc1)C(C)(F)F
Show InChI InChI=1S/C20H24F2N6O2/c1-3-24-19-26-14-8-9-28(11-13(14)17(27-19)18(23)30)16(29)7-5-12-4-6-15(25-10-12)20(2,21)22/h4,6,10H,3,5,7-9,11H2,1-2H3,(H2,23,30)(H,24,26,27)
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n/an/an/an/a 43n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


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


(Homo sapiens (human))
BDBM50428099
PNG
(CHEMBL2331645)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(CC)cc1
Show InChI InChI=1S/C21H27N5O2/c1-3-14-5-7-15(8-6-14)9-10-18(27)26-12-11-17-16(13-26)19(20(22)28)25-21(24-17)23-4-2/h5-8H,3-4,9-13H2,1-2H3,(H2,22,28)(H,23,24,25)
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n/an/an/an/a 9.20n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


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


(Homo sapiens (human))
BDBM50428100
PNG
(CHEMBL2331650)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(CC(F)(F)F)cc1
Show InChI InChI=1S/C21H24F3N5O2/c1-2-26-20-27-16-9-10-29(12-15(16)18(28-20)19(25)31)17(30)8-7-13-3-5-14(6-4-13)11-21(22,23)24/h3-6H,2,7-12H2,1H3,(H2,25,31)(H,26,27,28)
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n/an/an/an/a 4.70n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


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


(Homo sapiens (human))
BDBM50428095
PNG
(CHEMBL2331646)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)
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n/an/an/an/a 2.5n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


Citation and Details
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


TBA

Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


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


(Homo sapiens (human))
BDBM50428105
PNG
(CHEMBL2331649)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C20H22F3N5O2S/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 1.60n/an/an/an/a


TBA

Assay Description
Agonist activity at human TGR5 expressed in deoxycycline-induced Flp-In-CHO-TO cells assessed as increase in intracellular cAMP measured after 48 hrs...


Citation and Details
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(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/a 4.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(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/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(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/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(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/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C19 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(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/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C9 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(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/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP1A2 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(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/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at GST-tagged human FXR assessed as binding of receptor to cofactor by TRF method


Citation and Details
More data for this
Ligand-Target Pair
Bile acid receptor FXR


(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/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human FXR assessed as ligand dependent binding of cofactor to the receptor-ligand complex by TRF method


Citation and Details
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


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


(Mus musculus)
BDBM50428095
PNG
(CHEMBL2331646)
Show SMILES CCNc1nc2CCN(Cc2c(n1)C(N)=O)C(=O)CCc1ccc(cc1)C(C)C
Show InChI InChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)
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n/an/an/an/a 5.62E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at mouse TGR5 expressed in deoxycycline-induced CHO cells assessed as increase in intracellular cAMP measured after 48 hrs by HTRF c...


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More data for this
Ligand-Target Pair