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Compile Data Set for Download or QSAR

Found 413 hits with Last Name = 'rink' and Initial = 'c'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021819
PNG
(CHEMBL3298828)
Show SMILES COc1nc2sc(C(=O)NCCCCCCN3CCC(CC3)c3ccc(Cl)cc3)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C27H34Cl2N4O2S/c1-17-21-23(30)24(36-27(21)32-26(35-2)22(17)29)25(34)31-13-5-3-4-6-14-33-15-11-19(12-16-33)18-7-9-20(28)10-8-18/h7-10,19H,3-6,11-16,30H2,1-2H3,(H,31,34)
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0.600n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304738
PNG
(2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...)
Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/s2
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0.75n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304738
PNG
(2-(3-((S)-1-carboxy-3-methylbutyl)ureido)pentanedi...)
Show SMILES CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
Show InChI InChI=1/C12H20N2O7/c1-6(2)5-8(11(19)20)14-12(21)13-7(10(17)18)3-4-9(15)16/h6-8H,3-5H2,1-2H3,(H,15,16)(H,17,18)(H,19,20)(H2,13,14,21)/t7-,8-/s2
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1.08n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...


J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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1.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233623
PNG
(CHEMBL4104013)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1cccc2[nH]c(=O)oc12
Show InChI InChI=1S/C22H24N4O4/c27-20-15-29-19-8-2-1-6-17(19)26(20)10-4-9-24-11-13-25(14-12-24)18-7-3-5-16-21(18)30-22(28)23-16/h1-3,5-8H,4,9-15H2,(H,23,28)
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1.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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2.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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2.70n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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3.20n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233626
PNG
(CHEMBL4062602)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C23H24FN3O3/c24-17-6-7-18-21(14-17)30-25-23(18)16-8-12-26(13-9-16)10-3-11-27-19-4-1-2-5-20(19)29-15-22(27)28/h1-2,4-7,14,16H,3,8-13,15H2
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3.20n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021818
PNG
(CHEMBL3298827)
Show SMILES COc1ccccc1N1CCN(CCCCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1
Show InChI InChI=1S/C26H34ClN5O3S/c1-17-20-22(28)23(36-26(20)30-25(35-3)21(17)27)24(33)29-11-7-4-8-12-31-13-15-32(16-14-31)18-9-5-6-10-19(18)34-2/h5-6,9-10H,4,7-8,11-16,28H2,1-3H3,(H,29,33)
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3.5n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304722
PNG
((S)-2-(3-((S)-1-Carboxybut-3-ynyl)ureido)-6-(4-iod...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC#C)C(O)=O
Show InChI InChI=1/C19H22IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h1,7-10,14-15H,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/s2
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5.30n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304731
PNG
((S)-2-(3-((S)-1-Carboxy-2-(furan-2-yl)ethyl)ureido...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1ccco1)C(O)=O
Show InChI InChI=1/C21H24IN3O7/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/s2
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5.30n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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5.80n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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5.80n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in F1pIn CHO cell membranes after 1 hr by scintillation counting method


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021817
PNG
(CHEMBL3298826)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1
Show InChI InChI=1S/C25H32ClN5O3S/c1-16-19-21(27)22(35-25(19)29-24(34-3)20(16)26)23(32)28-10-6-7-11-30-12-14-31(15-13-30)17-8-4-5-9-18(17)33-2/h4-5,8-9H,6-7,10-15,27H2,1-3H3,(H,28,32)
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6.30n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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8n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from dopamine D2L receptor (unknown origin) expressed in CHO cell membranes


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021771
PNG
(CHEMBL3298896)
Show SMILES COc1ccccc1N1CCN(CCCCCNC(=O)c2sc3nc(C)cc(C)c3c2N)CC1
Show InChI InChI=1S/C26H35N5O2S/c1-18-17-19(2)29-26-22(18)23(27)24(34-26)25(32)28-11-7-4-8-12-30-13-15-31(16-14-30)20-9-5-6-10-21(20)33-3/h5-6,9-10,17H,4,7-8,11-16,27H2,1-3H3,(H,28,32)
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9.10n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443100
PNG
(CHEMBL3085820)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1/C24H37Cl2N3O2/c1-24(2,3)31-23(30)27-19-10-8-18(9-11-19)12-15-28-13-5-14-29(17-16-28)21-7-4-6-20(25)22(21)26/h4,6-7,18-19H,5,8-17H2,1-3H3,(H,27,30)/t18-,19-
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10n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021770
PNG
(CHEMBL3298895)
Show SMILES Cc1cc(C)c2c(N)c(sc2n1)C(=O)NCCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C25H31Cl2N5OS/c1-16-15-17(2)30-25-20(16)22(28)23(34-25)24(33)29-9-4-3-5-10-31-11-13-32(14-12-31)19-8-6-7-18(26)21(19)27/h6-8,15H,3-5,9-14,28H2,1-2H3,(H,29,33)
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11n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304751
PNG
((S)-2-(3-((S)-1-Carboxybut-3-enyl)ureido)-6-(4-iod...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC=C)C(O)=O
Show InChI InChI=1/C19H24IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h2,7-10,14-15H,1,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/s2
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11n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021802
PNG
(CHEMBL3299096)
Show SMILES COc1ccccc1N1CCN(CCCCCNC(=O)OC(C)(C)C)CC1
Show InChI InChI=1S/C21H35N3O3/c1-21(2,3)27-20(25)22-12-8-5-9-13-23-14-16-24(17-15-23)18-10-6-7-11-19(18)26-4/h6-7,10-11H,5,8-9,12-17H2,1-4H3,(H,22,25)
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12n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021769
PNG
(CHEMBL3298830)
Show SMILES COc1nc2sc(C(=O)NCCCCCN3CCN(CC3)c3cccc(Cl)c3Cl)c(N)c2c(C)c1Cl
Show InChI InChI=1S/C25H30Cl3N5O2S/c1-15-18-21(29)22(36-25(18)31-24(35-2)19(15)27)23(34)30-9-4-3-5-10-32-11-13-33(14-12-32)17-8-6-7-16(26)20(17)28/h6-8H,3-5,9-14,29H2,1-2H3,(H,30,34)
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15n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021796
PNG
(CHEMBL3299094)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)OC(C)(C)C)CC1
Show InChI InChI=1S/C19H31N3O3/c1-19(2,3)25-18(23)20-10-7-11-21-12-14-22(15-13-21)16-8-5-6-9-17(16)24-4/h5-6,8-9H,7,10-15H2,1-4H3,(H,20,23)
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16n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304735
PNG
((S)-2-(3-((S)-1-Carboxy-2-(thiazol-4-yl)ethyl)urei...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1cscn1)C(O)=O
Show InChI InChI=1/C20H23IN4O6S/c21-13-6-4-12(5-7-13)17(26)22-8-2-1-3-15(18(27)28)24-20(31)25-16(19(29)30)9-14-10-32-11-23-14/h4-7,10-11,15-16H,1-3,8-9H2,(H,22,26)(H,27,28)(H,29,30)(H2,24,25,31)/t15-,16-/s2
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16.1n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304732
PNG
((S)-2-(3-((S)-1-Carboxy-2-(thiophen-2-yl)ethyl)ure...)
Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1cccs1)C(O)=O
Show InChI InChI=1/C21H24IN3O6S/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/s2
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16.2n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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18n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443101
PNG
(CARIPRAZINE | Cariprazine | RGH-188)
Show SMILES CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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18n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233625
PNG
(CHEMBL4090568)
Show SMILES O=C1COc2ccccc2N1CCCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C22H24N4O2S/c27-21-16-28-19-8-3-2-7-18(19)26(21)11-5-10-24-12-14-25(15-13-24)22-17-6-1-4-9-20(17)29-23-22/h1-4,6-9H,5,10-16H2
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18n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021800
PNG
(CHEMBL3299095)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)OC(C)(C)C)CC1
Show InChI InChI=1S/C20H33N3O3/c1-20(2,3)26-19(24)21-11-7-8-12-22-13-15-23(16-14-22)17-9-5-6-10-18(17)25-4/h5-6,9-10H,7-8,11-16H2,1-4H3,(H,21,24)
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19n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50360218
PNG
(CHEMBL1927827)
Show SMILES CCCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
Show InChI InChI=1/C21H30IN3O6/c1-2-3-4-7-16(19(27)28)24-21(31)25-17(20(29)30)8-5-6-13-23-18(26)14-9-11-15(22)12-10-14/h9-12,16-17H,2-8,13H2,1H3,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/s2
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20n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...


J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021816
PNG
(CHEMBL3298759)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1
Show InChI InChI=1S/C24H30ClN5O3S/c1-15-18-20(26)21(34-24(18)28-23(33-3)19(15)25)22(31)27-9-6-10-29-11-13-30(14-12-29)16-7-4-5-8-17(16)32-2/h4-5,7-8H,6,9-14,26H2,1-3H3,(H,27,31)
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20n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304727
PNG
((S)-2-(3-((S)-1-Carboxy-3-(methylthio)propyl)ureid...)
Show SMILES CSCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
Show InChI InChI=1/C19H26IN3O6S/c1-30-11-9-15(18(27)28)23-19(29)22-14(17(25)26)4-2-3-10-21-16(24)12-5-7-13(20)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/s2
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23n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...


J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443102
PNG
(CHEMBL3085819)
Show SMILES CC(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3C2)C#N)CC1
Show InChI InChI=1/C20H27N3O/c1-15(24)22-20-6-3-16(4-7-20)8-10-23-11-9-18-5-2-17(13-21)12-19(18)14-23/h2,5,12,16,20H,3-4,6-11,14H2,1H3,(H,22,24)/t16-,20-
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23n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304727
PNG
((S)-2-(3-((S)-1-Carboxy-3-(methylthio)propyl)ureid...)
Show SMILES CSCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
Show InChI InChI=1/C19H26IN3O6S/c1-30-11-9-15(18(27)28)23-19(29)22-14(17(25)26)4-2-3-10-21-16(24)12-5-7-13(20)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/s2
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23n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304728
PNG
((S)-2-(3-((S)-4-(Acetylthio)-1-carboxybutyl)ureido...)
Show SMILES CC(=O)SCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
Show InChI InChI=1/C21H28IN3O7S/c1-13(26)33-12-4-6-17(20(30)31)25-21(32)24-16(19(28)29)5-2-3-11-23-18(27)14-7-9-15(22)10-8-14/h7-10,16-17H,2-6,11-12H2,1H3,(H,23,27)(H,28,29)(H,30,31)(H2,24,25,32)/t16-,17-/s2
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24.1n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50360217
PNG
(CHEMBL1927829)
Show SMILES CCCCCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
Show InChI InChI=1/C23H34IN3O6/c1-2-3-4-5-6-9-18(21(29)30)26-23(33)27-19(22(31)32)10-7-8-15-25-20(28)16-11-13-17(24)14-12-16/h11-14,18-19H,2-10,15H2,1H3,(H,25,28)(H,29,30)(H,31,32)(H2,26,27,33)/t18-,19-/s2
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29n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...


J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443096
PNG
(CHEMBL3085824)
Show SMILES CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)/t17-,18+
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33n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
adrenergic Alpha2


(PIG)
BDBM30712
PNG
(6-tert-butyl-3-(2-imidazolin-2-ylmethyl)-2,4-dimet...)
Show SMILES Cc1cc(c(O)c(C)c1CC1=NCCN1)C(C)(C)C
Show InChI InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
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35.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Pharmacol Exp Ther 294: 539-47 (2000)


BindingDB Entry DOI: 10.7270/Q2TM78NR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443099
PNG
(CHEMBL3085821)
Show SMILES CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1/C23H35Cl2N3O2/c1-23(2,3)30-22(29)26-18-9-7-17(8-10-18)11-12-27-13-15-28(16-14-27)20-6-4-5-19(24)21(20)25/h4-6,17-18H,7-16H2,1-3H3,(H,26,29)/t17-,18-
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40n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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43n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50233627
PNG
(CHEMBL4066435)
Show SMILES COc1ccccc1N1CCN(CCCN2C(=O)COc3ccccc23)CC1
Show InChI InChI=1S/C22H27N3O3/c1-27-20-9-4-2-7-18(20)24-15-13-23(14-16-24)11-6-12-25-19-8-3-5-10-21(19)28-17-22(25)26/h2-5,7-10H,6,11-17H2,1H3
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43n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from human dopamine D2L receptor expressed in F1pIn CHO cells after 60 mins by scintillation counting analysis


J Med Chem 58: 1550-5 (2015)


Article DOI: 10.1021/jm5013243
BindingDB Entry DOI: 10.7270/Q2F76FTG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50443095
PNG
(CHEMBL3085825)
Show SMILES CN(C)C(=O)NC[C@H]1CC[C@H](CN2CCN(CC2)c2cccc(Cl)c2Cl)CC1
Show InChI InChI=1/C21H32Cl2N4O/c1-25(2)21(28)24-14-16-6-8-17(9-7-16)15-26-10-12-27(13-11-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/t16-,17-
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43n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021768
PNG
(CHEMBL3298829)
Show SMILES CC(C)(C)OC(=O)NCCCCCN1CCN(CC1)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H31Cl2N3O2/c1-20(2,3)27-19(26)23-10-5-4-6-11-24-12-14-25(15-13-24)17-9-7-8-16(21)18(17)22/h7-9H,4-6,10-15H2,1-3H3,(H,23,26)
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43n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021815
PNG
(CHEMBL3298758)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2sc3nc(OC)c(Cl)c(C)c3c2N)CC1
Show InChI InChI=1S/C23H28ClN5O3S/c1-14-17-19(25)20(33-23(17)27-22(32-3)18(14)24)21(30)26-8-9-28-10-12-29(13-11-28)15-6-4-5-7-16(15)31-2/h4-7H,8-13,25H2,1-3H3,(H,26,30)
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48n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
adrenergic Alpha2


(PIG)
BDBM50262179
PNG
(Iodoclonidine-p | p-iodoclonidine)
Show SMILES Clc1cc(I)cc(Cl)c1NC1=[NH+]CCN1
Show InChI InChI=1S/C9H8Cl2IN3/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2H2,(H2,13,14,15)/p+1
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51.3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Pharmacol Exp Ther 294: 539-47 (2000)


BindingDB Entry DOI: 10.7270/Q2TM78NR
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50304723
PNG
((S)-2-(3-((S)-1-Carboxybutyl)ureido)-6-(4-iodobenz...)
Show SMILES CCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
Show InChI InChI=1/C19H26IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h7-10,14-15H,2-6,11H2,1H3,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/s2
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52.3n/an/an/an/an/an/an/an/a



Institutions

Curated by ChEMBL


Assay Description
Inhibition of human cloned glutamate carboxypeptidase 2


Bioorg Med Chem Lett 20: 392-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.061
BindingDB Entry DOI: 10.7270/Q2SN092X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50360219
PNG
(CHEMBL1927826)
Show SMILES CCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
Show InChI InChI=1/C20H28IN3O6/c1-2-3-6-15(18(26)27)23-20(30)24-16(19(28)29)7-4-5-12-22-17(25)13-8-10-14(21)11-9-13/h8-11,15-16H,2-7,12H2,1H3,(H,22,25)(H,26,27)(H,28,29)(H2,23,24,30)/t15-,16-/s2
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56n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...


J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
adrenergic Alpha2


(PIG)
BDBM81979
PNG
(CAS_5051-62-7 | CAS_65636 | Fluprofylline | Guanab...)
Show SMILES NC(N)=NN=Cc1c(Cl)cccc1Cl
Show InChI InChI=1S/C8H8Cl2N4/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12/h1-4H,(H4,11,12,14)/b13-4+
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57.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Pharmacol Exp Ther 294: 539-47 (2000)


BindingDB Entry DOI: 10.7270/Q2TM78NR
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50360216
PNG
(CHEMBL1927828)
Show SMILES CCCCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
Show InChI InChI=1/C22H32IN3O6/c1-2-3-4-5-8-17(20(28)29)25-22(32)26-18(21(30)31)9-6-7-14-24-19(27)15-10-12-16(23)13-11-15/h10-13,17-18H,2-9,14H2,1H3,(H,24,27)(H,28,29)(H,30,31)(H2,25,26,32)/t17-,18-/s2
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72n/an/an/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of glutamate carboxypeptidase 2 in human LNCAP cells assessed as glutamate formation using NAAG as substrate after 60 mins by fluorometric...


J Med Chem 54: 7535-46 (2011)


Article DOI: 10.1021/jm200807m
BindingDB Entry DOI: 10.7270/Q2VM4CQ2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50021805
PNG
(CHEMBL3299097)
Show SMILES COc1ccccc1N1CCN(CCCCCCNC(=O)OC(C)(C)C)CC1
Show InChI InChI=1S/C22H37N3O3/c1-22(2,3)28-21(26)23-13-9-5-6-10-14-24-15-17-25(18-16-24)19-11-7-8-12-20(19)27-4/h7-8,11-12H,5-6,9-10,13-18H2,1-4H3,(H,23,26)
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75n/an/an/an/an/an/an/an/a



Monash University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis


J Med Chem 57: 4924-39 (2014)


Article DOI: 10.1021/jm500457x
BindingDB Entry DOI: 10.7270/Q29Z96FS
More data for this
Ligand-Target Pair
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