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5 similar compounds to monomer 50128336

Compile data set for download or QSAR
Wt: 489.9
BDBM50128360
Wt: 485.9
BDBM50128361
Wt: 520.5
BDBM50128362
Wt: 388.2
BDBM50128347
Wt: 422.2
BDBM50128356

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50128360,50128361,50128362,50128347,50128356   
Target/Host
(Institution)
LigandTarget/Host
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
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128347
PNG
(CHEMBL3629341)
Show SMILES CC(C)C[C@H](NC(=O)OCC=C)C(=O)N1C[C@H]2ON=C(Br)[C@H]2C1
Show InChI InChI=1S/C15H22BrN3O4/c1-4-5-22-15(21)17-11(6-9(2)3)14(20)19-7-10-12(8-19)23-18-13(10)16/h4,9-12H,1,5-8H2,2-3H3,(H,17,21)/t10-,11-,12+/m0/s1
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PubMed
8.52E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Rhodesain


(Trypanosoma brucei rhodesiense)
BDBM50128356
PNG
(CHEMBL3629179)
Show SMILES BrC1=NO[C@H]2CN(C[C@@H]12)C(=O)[C@H](Cc1ccccc1)NC(=O)OCC=C
Show InChI InChI=1S/C18H20BrN3O4/c1-2-8-25-18(24)20-14(9-12-6-4-3-5-7-12)17(23)22-10-13-15(11-22)26-21-16(13)19/h2-7,13-15H,1,8-11H2,(H,20,24)/t13-,14+,15+/m1/s1
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PubMed
1.66E+4n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-7-amino-4-methylcoumarin assessed as substrate hydrolysis measured by fluore...


Bioorg Med Chem 23: 7053-60 (2015)


Article DOI: 10.1016/j.bmc.2015.09.029
BindingDB Entry DOI: 10.7270/Q2ZW1NQX
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50128361
PNG
(CHEMBL3629481)
Show SMILES Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H28ClN5O4/c1-14-21(29-19-6-5-15(8-26)7-18(19)25)27-13-28-22(14)33-20-16-9-30(10-17(20)12-32-11-16)23(31)34-24(2,3)4/h5-7,13,16-17,20H,9-12H2,1-4H3,(H,27,28,29)
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n/an/an/an/a 140n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 5291-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.047
BindingDB Entry DOI: 10.7270/Q2QC05BG
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50128362
PNG
(CHEMBL3629483)
Show SMILES Cc1c(Nc2ccc(cc2F)S(C)(=O)=O)ncnc1OC1CC2COCC(C1)N2C(=O)OC1(C)CC1
Show InChI InChI=1S/C24H29FN4O6S/c1-14-21(28-20-5-4-18(10-19(20)25)36(3,31)32)26-13-27-22(14)34-17-8-15-11-33-12-16(9-17)29(15)23(30)35-24(2)6-7-24/h4-5,10,13,15-17H,6-9,11-12H2,1-3H3,(H,26,27,28)
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n/an/an/an/a 70n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 5291-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.047
BindingDB Entry DOI: 10.7270/Q2QC05BG
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50128360
PNG
(CHEMBL3629480)
Show SMILES Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H24ClN5O4S/c1-13-21(27-19-5-2-14(7-24)6-18(19)23)25-12-26-22(13)32-20-15-8-28(9-16(20)11-31-10-15)33(29,30)17-3-4-17/h2,5-6,12,15-17,20H,3-4,8-11H2,1H3,(H,25,26,27)
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n/an/an/an/a 51n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 5291-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.047
BindingDB Entry DOI: 10.7270/Q2QC05BG
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50128360
PNG
(CHEMBL3629480)
Show SMILES Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H24ClN5O4S/c1-13-21(27-19-5-2-14(7-24)6-18(19)23)25-12-26-22(13)32-20-15-8-28(9-16(20)11-31-10-15)33(29,30)17-3-4-17/h2,5-6,12,15-17,20H,3-4,8-11H2,1H3,(H,25,26,27)
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n/an/an/an/a 1.21E+3n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 5291-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.047
BindingDB Entry DOI: 10.7270/Q2QC05BG
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50128361
PNG
(CHEMBL3629481)
Show SMILES Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H28ClN5O4/c1-14-21(29-19-6-5-15(8-26)7-18(19)25)27-13-28-22(14)33-20-16-9-30(10-17(20)12-32-11-16)23(31)34-24(2,3)4/h5-7,13,16-17,20H,9-12H2,1-4H3,(H,27,28,29)
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PubMed
n/an/an/an/a 7n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 5291-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.047
BindingDB Entry DOI: 10.7270/Q2QC05BG
More data for this
Ligand-Target Pair
G-protein coupled receptor 119 (GPR119)


(Homo sapiens (Human))
BDBM50128361
PNG
(CHEMBL3629481)
Show SMILES Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H28ClN5O4/c1-14-21(29-19-6-5-15(8-26)7-18(19)25)27-13-28-22(14)33-20-16-9-30(10-17(20)12-32-11-16)23(31)34-24(2,3)4/h5-7,13,16-17,20H,9-12H2,1-4H3,(H,27,28,29)
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PubMed
n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at human GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 5291-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.047
BindingDB Entry DOI: 10.7270/Q2QC05BG
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50128361
PNG
(CHEMBL3629481)
Show SMILES Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)C(=O)OC(C)(C)C
Show InChI InChI=1S/C24H28ClN5O4/c1-14-21(29-19-6-5-15(8-26)7-18(19)25)27-13-28-22(14)33-20-16-9-30(10-17(20)12-32-11-16)23(31)34-24(2,3)4/h5-7,13,16-17,20H,9-12H2,1-4H3,(H,27,28,29)
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n/an/an/an/a 28n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 5291-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.047
BindingDB Entry DOI: 10.7270/Q2QC05BG
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50128360
PNG
(CHEMBL3629480)
Show SMILES Cc1c(Nc2ccc(cc2Cl)C#N)ncnc1OC1C2COCC1CN(C2)S(=O)(=O)C1CC1
Show InChI InChI=1S/C22H24ClN5O4S/c1-13-21(27-19-5-2-14(7-24)6-18(19)23)25-12-26-22(13)32-20-15-8-28(9-16(20)11-31-10-15)33(29,30)17-3-4-17/h2,5-6,12,15-17,20H,3-4,8-11H2,1H3,(H,25,26,27)
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n/an/an/an/a 844n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 5291-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.047
BindingDB Entry DOI: 10.7270/Q2QC05BG
More data for this
Ligand-Target Pair
Glucose-dependent insulinotropic receptor


(Mus musculus)
BDBM50128362
PNG
(CHEMBL3629483)
Show SMILES Cc1c(Nc2ccc(cc2F)S(C)(=O)=O)ncnc1OC1CC2COCC(C1)N2C(=O)OC1(C)CC1
Show InChI InChI=1S/C24H29FN4O6S/c1-14-21(28-20-5-4-18(10-19(20)25)36(3,31)32)26-13-27-22(14)34-17-8-15-11-33-12-16(9-17)29(15)23(30)35-24(2)6-7-24/h4-5,10,13,15-17H,6-9,11-12H2,1-3H3,(H,26,27,28)
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n/an/an/an/a 511n/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR119 expressed in HEK293 cells assessed as cAMP accumulation after 30 mins by fluorescence analysis


Bioorg Med Chem Lett 25: 5291-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.09.047
BindingDB Entry DOI: 10.7270/Q2QC05BG
More data for this
Ligand-Target Pair