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Compile Data Set for Download or QSAR

Found 596 hits with Last Name = 'tabatabaei' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29100
PNG
(dibenzothiazepine, 12h)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H20ClFN2OS/c1-2-3-12-27-24(29)16-9-11-22-20(14-16)28-23(15-8-10-19(26)18(25)13-15)17-6-4-5-7-21(17)30-22/h4-11,13-14H,2-3,12H2,1H3,(H,27,29)
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0.200 -54.8n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29098
PNG
(dibenzothiazepine, 12e)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)17-10-13-22-20(15-17)27-23(16-8-11-18(25)12-9-16)19-6-4-5-7-21(19)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)
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0.200 -54.8n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29096
PNG
(dibenzothiazepine, 12b)
Show SMILES Clc1cccc(CNC(=O)c2ccc3Sc4ccccc4C(=Nc3c2)N2CCCCC2)c1
Show InChI InChI=1S/C26H24ClN3OS/c27-20-8-6-7-18(15-20)17-28-26(31)19-11-12-24-22(16-19)29-25(30-13-4-1-5-14-30)21-9-2-3-10-23(21)32-24/h2-3,6-12,15-16H,1,4-5,13-14,17H2,(H,28,31)
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0.320 -53.6n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29097
PNG
(dibenzothiazepine, 12c)
Show SMILES FC1(F)CCN(CC1)C1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C26H22ClF2N3OS/c27-19-5-3-4-17(14-19)16-30-25(33)18-8-9-23-21(15-18)31-24(20-6-1-2-7-22(20)34-23)32-12-10-26(28,29)11-13-32/h1-9,14-15H,10-13,16H2,(H,30,33)
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0.790 -51.4n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29101
PNG
(dibenzothiazepine, 12j)
Show SMILES CC(C)CNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)s1
Show InChI InChI=1S/C22H19ClN2OS2/c1-13(2)12-24-22(26)14-7-8-18-16(11-14)25-21(19-9-10-20(23)28-19)15-5-3-4-6-17(15)27-18/h3-11,13H,12H2,1-2H3,(H,24,26)
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1.20 -50.4n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29102
PNG
(dibenzothiazepine, 12k)
Show SMILES CC(C)CCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccn1
Show InChI InChI=1S/C24H23N3OS/c1-16(2)12-14-26-24(28)17-10-11-22-20(15-17)27-23(19-8-5-6-13-25-19)18-7-3-4-9-21(18)29-22/h3-11,13,15-16H,12,14H2,1-2H3,(H,26,28)
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1.60 -49.7n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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2 -49.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29095
PNG
(dibenzothiazepine, 12a)
Show SMILES O=C(NN1CCCCC1)c1ccc2Sc3ccccc3C(=Nc2c1)C1CCCCC1
Show InChI InChI=1S/C25H29N3OS/c29-25(27-28-15-7-2-8-16-28)19-13-14-23-21(17-19)26-24(18-9-3-1-4-10-18)20-11-5-6-12-22(20)30-23/h5-6,11-14,17-18H,1-4,7-10,15-16H2,(H,27,29)
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3 -48.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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3 -48.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29099
PNG
(dibenzothiazepine, 12g)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccc1Cl
Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)16-12-13-22-20(15-16)27-23(17-8-4-6-10-19(17)25)18-9-5-7-11-21(18)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)
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25 -43.0n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM29103
PNG
(dibenzothiazepine, 13)
Show SMILES CCCC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H18ClNOS/c1-2-5-20(26)16-10-13-22-19(14-16)25-23(15-8-11-17(24)12-9-15)18-6-3-4-7-21(18)27-22/h3-4,6-14H,2,5H2,1H3
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40 -41.8n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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398 -36.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29100
PNG
(dibenzothiazepine, 12h)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C24H20ClFN2OS/c1-2-3-12-27-24(29)16-9-11-22-20(14-16)28-23(15-8-10-19(26)18(25)13-15)17-6-4-5-7-21(17)30-22/h4-11,13-14H,2-3,12H2,1H3,(H,27,29)
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1.00E+3 -33.9n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29097
PNG
(dibenzothiazepine, 12c)
Show SMILES FC1(F)CCN(CC1)C1=Nc2cc(ccc2Sc2ccccc12)C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C26H22ClF2N3OS/c27-19-5-3-4-17(14-19)16-30-25(33)18-8-9-23-21(15-18)31-24(20-6-1-2-7-22(20)34-23)32-12-10-26(28,29)11-13-32/h1-9,14-15H,10-13,16H2,(H,30,33)
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1.26E+3 -33.3n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29094
PNG
((+/-)-SLV319 | (S)-3-(4-chlorophenyl)-N-(4-chlorop...)
Show SMILES CN=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(C(=N1)c1ccc(Cl)cc1)c1ccccc1
Show InChI InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)
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2.00E+3 -32.2n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM29099
PNG
(dibenzothiazepine, 12g)
Show SMILES CCCCNC(=O)c1ccc2Sc3ccccc3C(=Nc2c1)c1ccccc1Cl
Show InChI InChI=1S/C24H21ClN2OS/c1-2-3-14-26-24(28)16-12-13-22-20(15-16)27-23(17-8-4-6-10-19(17)25)18-9-5-7-11-21(18)29-22/h4-13,15H,2-3,14H2,1H3,(H,26,28)
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5.01E+3 -29.9n/an/an/an/an/a7.222



ACADIA Pharmaceuticals AB



Assay Description
IC50 values for test compounds were determined from nonlinear regression analysis of data collected from ligand displacement experiments. The inhibit...


J Med Chem 52: 1975-82 (2009)


Article DOI: 10.1021/jm801534c
BindingDB Entry DOI: 10.7270/Q25Q4TFP
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM50150119
PNG
(CHEMBL3769414)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccc(cc3)-c3cccc(F)n3)c(Nc3ccccc3)c2C1=O
Show InChI InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1
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n/an/a 0.0580n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PDE1B (unknown origin)


J Med Chem 60: 3472-3483 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00302
BindingDB Entry DOI: 10.7270/Q2D79DP3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50236228
PNG
(CHEMBL4076035)
Show SMILES Cc1cc([C@H]2CCCN(C2)C(=O)c2ccc3ccccc3c2)n2ncnc2n1
Show InChI InChI=1S/C22H21N5O/c1-15-11-20(27-22(25-15)23-14-24-27)19-7-4-10-26(13-19)21(28)18-9-8-16-5-2-3-6-17(16)12-18/h2-3,5-6,8-9,11-12,14,19H,4,7,10,13H2,1H3/t19-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50236235
PNG
(CHEMBL4066029)
Show SMILES Cc1cc(C2CCCN(C2)C(=O)c2ccc3ccccc3c2)n2ncnc2n1
Show InChI InChI=1S/C22H21N5O/c1-15-11-20(27-22(25-15)23-14-24-27)19-7-4-10-26(13-19)21(28)18-9-8-16-5-2-3-6-17(16)12-18/h2-3,5-6,8-9,11-12,14,19H,4,7,10,13H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM107767
PNG
(US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length PDE2a using cGMP as substrate by Scintillation proximity assay


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50236271
PNG
(CHEMBL4103411)
Show SMILES Cc1cc(C2CN(CC(F)(F)C2)C(=O)c2ccc3ccccc3c2)n2ncnc2n1
Show InChI InChI=1S/C22H19F2N5O/c1-14-8-19(29-21(27-14)25-13-26-29)18-10-22(23,24)12-28(11-18)20(30)17-7-6-15-4-2-3-5-16(15)9-17/h2-9,13,18H,10-12H2,1H3
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50236231
PNG
(CHEMBL4087945)
Show SMILES Cc1cc(C2CCCN(C2)C(=O)c2ccc3ncccc3c2)n2ncnc2n1
Show InChI InChI=1S/C21H20N6O/c1-14-10-19(27-21(25-14)23-13-24-27)17-5-3-9-26(12-17)20(28)16-6-7-18-15(11-16)4-2-8-22-18/h2,4,6-8,10-11,13,17H,3,5,9,12H2,1H3
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against pepsin (Second pure eluting diastereomer )


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50166893
PNG
(2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...)
Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC
Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of PDE2a (unknown origin) using cAMP as substrate after 30 mins by Scintillation proximity assay


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457704
PNG
(CHEMBL4202565)
Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C25H21FN4O3S/c1-16-10-20(8-9-27-16)30-14-18-13-29(15-24(18)28-30)25(31)23-12-21(34(2,32)33)6-7-22(23)17-4-3-5-19(26)11-17/h3-12,14H,13,15H2,1-2H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50236243
PNG
(CHEMBL4059930)
Show SMILES Cc1cc(C2CN(CC(F)(F)C2)C(=O)c2ccc(F)c(I)c2)n2ncnc2n1
Show InChI InChI=1S/C18H15F3IN5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(20,21)8-26(7-12)16(28)11-2-3-13(19)14(22)5-11/h2-5,9,12H,6-8H2,1H3
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457693
PNG
(CHEMBL4218366)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H21F3N4O4S/c1-13-8-16(6-7-26-13)29-11-15-10-28(12-19(15)27-29)21(30)18-9-17(34(3,31)32)4-5-20(18)33-14(2)22(23,24)25/h4-9,11,14H,10,12H2,1-3H3/t14-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457706
PNG
(CHEMBL4216391)
Show SMILES CC(C)(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O
Show InChI InChI=1S/C23H24FN3O4S/c1-23(2,3)31-21-10-9-16(32(4,29)30)11-17(21)22(28)26-12-15-13-27(25-19(15)14-26)20-8-6-5-7-18(20)24/h5-11,13H,12,14H2,1-4H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50236242
PNG
(CHEMBL4093237)
Show SMILES COc1ccc(cc1C)C(=O)N1CC(CC(F)(F)C1)c1cc(C)nc2ncnn12
Show InChI InChI=1S/C20H21F2N5O2/c1-12-6-14(4-5-17(12)29-3)18(28)26-9-15(8-20(21,22)10-26)16-7-13(2)25-19-23-11-24-27(16)19/h4-7,11,15H,8-10H2,1-3H3
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM289647
PNG
(11,11-Difluoro-6-(4-methoxybenzyl)-9-((tetrahydro-...)
Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CC(F)(F)c4c3c3ncnn3c2=O)cc1
Show InChI InChI=1S/C24H25F2N5O3S/c1-33-17-4-2-15(3-5-17)11-30-22-19(21-27-14-28-31(21)23(30)32)20-18(35-22)12-29(13-24(20,25)26)10-16-6-8-34-9-7-16/h2-5,14,16H,6-13H2,1H3
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against chymotrypsinogen; Range 1-10 uM


J Med Chem 60: 3472-3483 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00302
BindingDB Entry DOI: 10.7270/Q2D79DP3
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50236226
PNG
(CHEMBL4087412)
Show SMILES Cc1cc(C2CCCN(C2)C(=O)c2ccc3CCOc3c2)n2ncnc2n1
Show InChI InChI=1S/C20H21N5O2/c1-13-9-17(25-20(23-13)21-12-22-25)16-3-2-7-24(11-16)19(26)15-5-4-14-6-8-27-18(14)10-15/h4-5,9-10,12,16H,2-3,6-8,11H2,1H3
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457692
PNG
(CHEMBL4211012)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H19F4N3O4S/c1-13(22(24,25)26)33-20-8-7-15(34(2,31)32)9-16(20)21(30)28-10-14-11-29(27-18(14)12-28)19-6-4-3-5-17(19)23/h3-9,11,13H,10,12H2,1-2H3/t13-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457689
PNG
(CHEMBL4206403)
Show SMILES CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccnc(C)c1
Show InChI InChI=1S/C23H23F3N4O4S/c1-4-35(32,33)18-5-6-21(34-15(3)23(24,25)26)19(10-18)22(31)29-11-16-12-30(28-20(16)13-29)17-7-8-27-14(2)9-17/h5-10,12,15H,4,11,13H2,1-3H3/t15-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457694
PNG
(CHEMBL4211535)
Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)C#N
Show InChI InChI=1S/C24H22F2N6O/c1-16-10-19(4-7-28-16)32-14-18-13-31(15-21(18)29-32)23(33)20-11-17(12-27)2-3-22(20)30-8-5-24(25,26)6-9-30/h2-4,7,10-11,14H,5-6,8-9,13,15H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457685
PNG
(CHEMBL4210484)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H20F3N3O4S/c1-14(22(23,24)25)32-20-9-8-17(33(2,30)31)10-18(20)21(29)27-11-15-12-28(26-19(15)13-27)16-6-4-3-5-7-16/h3-10,12,14H,11,13H2,1-2H3/t14-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457695
PNG
(CHEMBL4217712)
Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C24H25F2N5O3S/c1-16-11-18(5-8-27-16)31-14-17-13-30(15-21(17)28-31)23(32)20-12-19(35(2,33)34)3-4-22(20)29-9-6-24(25,26)7-10-29/h3-5,8,11-12,14H,6-7,9-10,13,15H2,1-2H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50457704
PNG
(CHEMBL4202565)
Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1-c1cccc(F)c1)S(C)(=O)=O
Show InChI InChI=1S/C25H21FN4O3S/c1-16-10-20(8-9-27-16)30-14-18-13-29(15-24(18)28-30)25(31)23-12-21(34(2,32)33)6-7-22(23)17-4-3-5-19(26)11-17/h3-12,14H,13,15H2,1-2H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50457703
PNG
(CHEMBL4214250)
Show SMILES CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
Show InChI InChI=1S/C24H18F2N4O3S/c1-34(32,33)20-5-6-21(15-3-2-4-17(25)7-15)22(9-20)24(31)29-12-16-13-30(28-23(16)14-29)19-8-18(26)10-27-11-19/h2-11,13H,12,14H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50236236
PNG
(CHEMBL4095099)
Show SMILES Cc1cc(C2CCCN(C2)C(=O)c2ccc3CCCc3c2)n2ncnc2n1
Show InChI InChI=1S/C21H23N5O/c1-14-10-19(26-21(24-14)22-13-23-26)18-6-3-9-25(12-18)20(27)17-8-7-15-4-2-5-16(15)11-17/h7-8,10-11,13,18H,2-6,9,12H2,1H3
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50457695
PNG
(CHEMBL4217712)
Show SMILES Cc1cc(ccn1)-n1cc2CN(Cc2n1)C(=O)c1cc(ccc1N1CCC(F)(F)CC1)S(C)(=O)=O
Show InChI InChI=1S/C24H25F2N5O3S/c1-16-11-18(5-8-27-16)31-14-17-13-30(15-21(17)28-31)23(32)20-12-19(35(2,33)34)3-4-22(20)29-9-6-24(25,26)7-10-29/h3-5,8,11-12,14H,6-7,9-10,13,15H2,1-2H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457714
PNG
(CHEMBL4214756)
Show SMILES CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
Show InChI InChI=1S/C22H20F4N4O4S/c1-3-35(32,33)17-4-5-20(34-13(2)22(24,25)26)18(7-17)21(31)29-10-14-11-30(28-19(14)12-29)16-6-15(23)8-27-9-16/h4-9,11,13H,3,10,12H2,1-2H3/t13-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50236225
PNG
(CHEMBL4074744)
Show SMILES Cc1cc([C@@H]2CN(CC(F)(F)C2)C(=O)c2ccc(F)c(Br)c2)n2ncnc2n1
Show InChI InChI=1S/C18H15BrF3N5O/c1-10-4-15(27-17(25-10)23-9-24-27)12-6-18(21,22)8-26(7-12)16(28)11-2-3-14(20)13(19)5-11/h2-5,9,12H,6-8H2,1H3/t12-/m0/s1
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50457692
PNG
(CHEMBL4211012)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C22H19F4N3O4S/c1-13(22(24,25)26)33-20-8-7-15(34(2,31)32)9-16(20)21(30)28-10-14-11-29(27-18(14)12-28)19-6-4-3-5-17(19)23/h3-9,11,13H,10,12H2,1-2H3/t13-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457691
PNG
(CHEMBL4209849)
Show SMILES CCS(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
Show InChI InChI=1S/C23H21F4N3O4S/c1-3-35(32,33)16-8-9-21(34-14(2)23(25,26)27)17(10-16)22(31)29-11-15-12-30(28-19(15)13-29)20-7-5-4-6-18(20)24/h4-10,12,14H,3,11,13H2,1-2H3/t14-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457688
PNG
(CHEMBL4206639)
Show SMILES C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C21H18F4N4O4S/c1-12(21(23,24)25)33-19-4-3-16(34(2,31)32)6-17(19)20(30)28-9-13-10-29(27-18(13)11-28)15-5-14(22)7-26-8-15/h3-8,10,12H,9,11H2,1-2H3/t12-/m0/s1
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50457702
PNG
(CHEMBL4205995)
Show SMILES CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1F
Show InChI InChI=1S/C25H19F2N3O3S/c1-34(32,33)19-9-10-20(16-5-4-6-18(26)11-16)21(12-19)25(31)29-13-17-14-30(28-23(17)15-29)24-8-3-2-7-22(24)27/h2-12,14H,13,15H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50457710
PNG
(CHEMBL4210353)
Show SMILES CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
Show InChI InChI=1S/C23H22F3N5O3S/c1-35(33,34)18-2-3-21(29-6-4-23(25,26)5-7-29)19(9-18)22(32)30-12-15-13-31(28-20(15)14-30)17-8-16(24)10-27-11-17/h2-3,8-11,13H,4-7,12,14H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(Homo sapiens (Human))
BDBM50457706
PNG
(CHEMBL4216391)
Show SMILES CC(C)(C)Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1ccccc1F)S(C)(=O)=O
Show InChI InChI=1S/C23H24FN3O4S/c1-23(2,3)31-21-10-9-16(32(4,29)30)11-17(21)22(28)26-12-15-13-27(25-19(15)14-26)20-8-6-5-7-18(20)24/h5-11,13H,12,14H2,1-4H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GlyT1c expressed in HEK293 cells assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation ...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457710
PNG
(CHEMBL4210353)
Show SMILES CS(=O)(=O)c1ccc(N2CCC(F)(F)CC2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
Show InChI InChI=1S/C23H22F3N5O3S/c1-35(33,34)18-2-3-21(29-6-4-23(25,26)5-7-29)19(9-18)22(32)30-12-15-13-31(28-20(15)14-30)17-8-16(24)10-27-11-17/h2-3,8-11,13H,4-7,12,14H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Glycine transporter 1


(attus norvegicus (Rat))
BDBM50457703
PNG
(CHEMBL4214250)
Show SMILES CS(=O)(=O)c1ccc(-c2cccc(F)c2)c(c1)C(=O)N1Cc2cn(nc2C1)-c1cncc(F)c1
Show InChI InChI=1S/C24H18F2N4O3S/c1-34(32,33)20-5-6-21(15-3-2-4-17(25)7-15)22(9-20)24(31)29-12-16-13-30(28-23(16)14-29)19-8-18(26)10-27-11-19/h2-11,13H,12,14H2,1H3
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Dart NeuroScience LLC

Curated by ChEMBL


Assay Description
Inhibition of GlyT1 in primary rat cortical neurons assessed as reduction in [14C]glycine uptake after 2 hrs by microbeta scintillation counting meth...


J Med Chem 61: 6018-6033 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00372
BindingDB Entry DOI: 10.7270/Q2GB26PM
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50236241
PNG
(CHEMBL4069050)
Show SMILES COc1ccc(cc1C)C(=O)N1CCCC(C1)c1cc(C)nc2ncnn12
Show InChI InChI=1S/C20H23N5O2/c1-13-9-15(6-7-18(13)27-3)19(26)24-8-4-5-16(11-24)17-10-14(2)23-20-21-12-22-25(17)20/h6-7,9-10,12,16H,4-5,8,11H2,1-3H3
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...


J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair
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