Found 221 hits with Last Name = 'sanner' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway
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CHEMBL
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MCE
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PC cid
PC sid
PDB
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Similars
| DrugBank
PubMed
| 0.840 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069035
((7R,9aS)-7-Phenoxymethyl-2-phenyl-octahydro-pyrido...)Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ccccc1 Show InChI InChI=1S/C21H26N2O/c1-3-7-19(8-4-1)23-14-13-22-15-18(11-12-20(22)16-23)17-24-21-9-5-2-6-10-21/h1-10,18,20H,11-17H2/t18-,20+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309960
((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-tr...)Show SMILES Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C20H22F4N4O/c1-27-10-18(26-11-27)19(29)28(15-5-13-7-25-8-14(13)6-15)9-12-2-3-17(21)16(4-12)20(22,23)24/h2-4,10-11,13-15,25H,5-9H2,1H3/t13-,14+,15- | PDB
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| CHEMBL
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| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069036
((7S,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)Show SMILES C(Oc1ccccc1)[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1 Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17-/m0/s1 | PDB
Reactome pathway
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069036
((7S,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)Show SMILES C(Oc1ccccc1)[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1 Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17-/m0/s1 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069037
((7R,9aS)-7-Phenoxymethyl-2-pyridin-2-yl-octahydro-...)Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ccccn1 Show InChI InChI=1S/C20H25N3O/c1-2-6-19(7-3-1)24-16-17-9-10-18-15-23(13-12-22(18)14-17)20-8-4-5-11-21-20/h1-8,11,17-18H,9-10,12-16H2/t17-,18+/m1/s1 | PDB
Reactome pathway
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309961
(CHEMBL3217125 | N-((cis)-4-aminocyclohexyl)-N-(3-c...)Show SMILES Cl.Cl.Cl.Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:20.18,23.22,(13.03,-2.95,;10.47,-2.95,;7.9,-2.95,;2.49,-8.74,;3.22,-7.74,;4.76,-7.75,;5.24,-6.29,;3.99,-5.4,;2.75,-6.28,;4,-3.86,;5.07,-3.24,;2.66,-3.08,;2.67,-1.54,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;1.33,.77,;1.33,-3.85,;-0,-3.08,;-1.34,-3.84,;-1.34,-5.38,;-2.41,-6,;-.01,-6.16,;1.32,-5.39,)| Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+ | PDB
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PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293568
(CHEMBL563761 | Cis-N-(3-Chlorobenzyl)-N-(-4-aminoc...)Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(Cl)c1)[C@@H]1CC[C@H](N)CC1 |r,wU:17.18,20.22,(3.36,-16.16,;4.05,-14.78,;3.34,-13.41,;4.42,-12.32,;5.8,-13.01,;5.57,-14.53,;7.16,-12.3,;7.23,-10.76,;8.46,-13.13,;9.83,-12.42,;11.12,-13.25,;11.05,-14.78,;12.34,-15.61,;13.71,-14.9,;13.78,-13.36,;15.14,-12.64,;12.48,-12.54,;8.39,-14.67,;7.02,-15.37,;6.95,-16.9,;8.24,-17.73,;8.16,-19.27,;9.61,-17.03,;9.69,-15.48,)| Show InChI InChI=1S/C18H23ClN4O/c1-22-11-17(21-12-22)18(24)23(16-7-5-15(20)6-8-16)10-13-3-2-4-14(19)9-13/h2-4,9,11-12,15-16H,5-8,10,20H2,1H3/t15-,16+ | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069039
((7S,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)Show SMILES Fc1ccc(OC[C@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1 Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17-/m0/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309959
((exo)-1-methyl-N-(octahydrocyclopenta[c]pyrrol-5-y...)Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C20H23F3N4O2/c1-26-11-18(25-12-26)19(28)27(16-6-14-8-24-9-15(14)7-16)10-13-3-2-4-17(5-13)29-20(21,22)23/h2-5,11-12,14-16,24H,6-10H2,1H3/t14-,15+,16- | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293558
(1-Methyl-1H-imidazole-4-carboxylic acid(3-ethyl-3-...)Show SMILES CCN1C[C@H]2[C@H](CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C21H25F3N4O2/c1-3-27-9-16-17(10-27)18(16)11-28(20(29)19-12-26(2)13-25-19)8-14-5-4-6-15(7-14)30-21(22,23)24/h4-7,12-13,16-18H,3,8-11H2,1-2H3/t16-,17+,18+ | PDB
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| Article
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293560
(1-Methyl-1H-imidazole-4-carboxylic acid(3-methyl-3...)Show SMILES CN1C[C@H]2[C@H](CN(Cc3cccc(OC(F)(F)F)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C20H23F3N4O2/c1-25-8-15-16(9-25)17(15)10-27(19(28)18-11-26(2)12-24-18)7-13-4-3-5-14(6-13)29-20(21,22)23/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17+ | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293557
((R)-N[3-phenyl-3-(4'-(4-toluoyl)phenoxy)-propyl]sa...)Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(=O)c1ccc(C)cc1)c1ccccc1)CC(O)=O |r| Show InChI InChI=1S/C26H27NO4/c1-19-8-10-21(11-9-19)26(30)22-12-14-23(15-13-22)31-24(20-6-4-3-5-7-20)16-17-27(2)18-25(28)29/h3-15,24H,16-18H2,1-2H3,(H,28,29)/t24-/m1/s1 | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293559
(1-Methyl-1H-imidazole-4-carboxylic acid(3-cyclopro...)Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C23H27F3N4O2/c1-28-13-21(27-14-28)22(31)30(9-16-3-2-4-17(7-16)32-23(24,25)26)12-20-18-10-29(11-19(18)20)8-15-5-6-15/h2-4,7,13-15,18-20H,5-6,8-12H2,1H3/t18-,19+,20+ | PDB
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309958
((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-cy...)Show SMILES Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(OC2CCCC2)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C24H31FN4O2/c1-28-14-22(27-15-28)24(30)29(19-9-17-11-26-12-18(17)10-19)13-16-6-7-21(25)23(8-16)31-20-4-2-3-5-20/h6-8,14-15,17-20,26H,2-5,9-13H2,1H3/t17-,18+,19- | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309954
((exo)-1-methyl-N-(2-methyloctahydrocyclopenta[c]py...)Show SMILES CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C21H25F3N4O2/c1-26-10-15-7-17(8-16(15)11-26)28(20(29)19-12-27(2)13-25-19)9-14-4-3-5-18(6-14)30-21(22,23)24/h3-6,12-13,15-17H,7-11H2,1-2H3/t15-,16+,17- | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309963
((exo)-N-(2-ethyloctahydrocyclopenta[c]pyrrol-5-yl)...)Show SMILES CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C22H26F4N4O/c1-3-29-10-15-7-17(8-16(15)11-29)30(21(31)20-12-28(2)13-27-20)9-14-4-5-19(23)18(6-14)22(24,25)26/h4-6,12-13,15-17H,3,7-11H2,1-2H3/t15-,16+,17- | PDB
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| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069048
((7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-pyrimidin-2-...)Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1 Show InChI InChI=1S/C19H23FN4O/c20-16-3-6-18(7-4-16)25-14-15-2-5-17-13-24(11-10-23(17)12-15)19-21-8-1-9-22-19/h1,3-4,6-9,15,17H,2,5,10-14H2/t15-,17+/m1/s1 | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309966
((exo)-N-(2-(2-hydroxy-2-phenylethyl)octahydrocyclo...)Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(O)c3ccccc3)C[C@H]2C1 |r| Show InChI InChI=1S/C28H31F3N4O3/c1-33-16-25(32-18-33)27(37)35(13-19-6-5-9-24(10-19)38-28(29,30)31)23-11-21-14-34(15-22(21)12-23)17-26(36)20-7-3-2-4-8-20/h2-10,16,18,21-23,26,36H,11-15,17H2,1H3/t21-,22+,23-,26? | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309962
((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-tr...)Show SMILES CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C21H24F4N4O/c1-27-9-14-6-16(7-15(14)10-27)29(20(30)19-11-28(2)12-26-19)8-13-3-4-18(22)17(5-13)21(23,24)25/h3-5,11-12,14-16H,6-10H2,1-2H3/t14-,15+,16- | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069034
((7R,9aS)-2-(5-Chloro-pyridin-2-yl)-7-(4-fluoro-phe...)Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ccc(Cl)cn2)cc1 Show InChI InChI=1S/C20H23ClFN3O/c21-16-2-8-20(23-11-16)25-10-9-24-12-15(1-5-18(24)13-25)14-26-19-6-3-17(22)4-7-19/h2-4,6-8,11,15,18H,1,5,9-10,12-14H2/t15-,18+/m1/s1 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
Reactome pathway
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069041
((7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1 Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m1/s1 | PDB
Reactome pathway
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069047
((7R,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ncccn1 Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17+/m1/s1 | PDB
Reactome pathway
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069038
(7-Phenoxymethyl-2-pyrimidin-2-yl-octahydro-pyrido[...)Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293561
(1-Methyl-1H-imidazole-4-carboxylic acid(3-cyclopen...)Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CN(CC3CCCC3)C[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C25H31F3N4O2/c1-30-15-23(29-16-30)24(33)32(11-18-7-4-8-19(9-18)34-25(26,27)28)14-22-20-12-31(13-21(20)22)10-17-5-2-3-6-17/h4,7-9,15-17,20-22H,2-3,5-6,10-14H2,1H3/t20-,21+,22+ | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309969
((exo)-N-(2-ethyloctahydrocyclopenta[c]pyrrol-5-yl)...)Show SMILES CCN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C22H27F3N4O2/c1-3-28-11-16-8-18(9-17(16)12-28)29(21(30)20-13-27(2)14-26-20)10-15-5-4-6-19(7-15)31-22(23,24)25/h4-7,13-14,16-18H,3,8-12H2,1-2H3/t16-,17+,18- | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309970
((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-cy...)Show SMILES CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1ccc(F)c(OC2CCCC2)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C25H33FN4O2/c1-28-13-18-10-20(11-19(18)14-28)30(25(31)23-15-29(2)16-27-23)12-17-7-8-22(26)24(9-17)32-21-5-3-4-6-21/h7-9,15-16,18-21H,3-6,10-14H2,1-2H3/t18-,19+,20- | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309957
((exo)-N-(3-isopropoxybenzyl)-1-methyl-N-(octahydro...)Show SMILES CC(C)Oc1cccc(CN([C@@H]2C[C@@H]3CNC[C@@H]3C2)C(=O)c2cn(C)cn2)c1 |r| Show InChI InChI=1S/C22H30N4O2/c1-15(2)28-20-6-4-5-16(7-20)12-26(22(27)21-13-25(3)14-24-21)19-8-17-10-23-11-18(17)9-19/h4-7,13-15,17-19,23H,8-12H2,1-3H3/t17-,18+,19- | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309968
((exo)-N-(2-(2-fluoropropyl)octahydrocyclopenta[c]p...)Show SMILES CC(F)CN1C[C@@H]2C[C@@H](C[C@@H]2C1)N(Cc1cccc(OC(F)(F)F)c1)C(=O)c1cn(C)cn1 |r| Show InChI InChI=1S/C23H28F4N4O2/c1-15(24)9-30-11-17-7-19(8-18(17)12-30)31(22(32)21-13-29(2)14-28-21)10-16-4-3-5-20(6-16)33-23(25,26)27/h3-6,13-15,17-19H,7-12H2,1-2H3/t15?,17-,18+,19- | PDB
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PubMed
| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293562
(1-Methyl-1H-imidazole-4-carboxylic acid(3-chloro-b...)Show SMILES CCN1C[C@H]2[C@H](CN(Cc3cccc(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C20H25ClN4O/c1-3-24-9-16-17(10-24)18(16)11-25(8-14-5-4-6-15(21)7-14)20(26)19-12-23(2)13-22-19/h4-7,12-13,16-18H,3,8-11H2,1-2H3/t16-,17+,18+ | PDB
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069042
((7R,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(4-fluoro-ph...)Show SMILES Fc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C21H24F2N2O/c22-17-2-7-19(8-3-17)25-12-11-24-13-16(1-6-20(24)14-25)15-26-21-9-4-18(23)5-10-21/h2-5,7-10,16,20H,1,6,11-15H2/t16-,20+/m1/s1 | PDB
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| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309956
((exo)-N-(3-(cyclopentyloxy)benzyl)-1-methyl-N-(oct...)Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC2CCCC2)c1)[C@@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C24H32N4O2/c1-27-15-23(26-16-27)24(29)28(20-10-18-12-25-13-19(18)11-20)14-17-5-4-8-22(9-17)30-21-6-2-3-7-21/h4-5,8-9,15-16,18-21,25H,2-3,6-7,10-14H2,1H3/t18-,19+,20- | PDB
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| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309965
((exo)-1-Methyl-1H-imidazole-4-carboxylic acid(3-tr...)Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CC(C)(C)O)C[C@H]2C1 |r| Show InChI InChI=1S/C24H31F3N4O3/c1-23(2,33)14-30-11-17-8-19(9-18(17)12-30)31(22(32)21-13-29(3)15-28-21)10-16-5-4-6-20(7-16)34-24(25,26)27/h4-7,13,15,17-19,33H,8-12,14H2,1-3H3/t17-,18+,19- | PDB
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| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309967
((exo)-1-methyl-N-(3-(trifluoromethoxy)benzyl)-N-(2...)Show SMILES Cn1cnc(c1)C(=O)N(Cc1cccc(OC(F)(F)F)c1)[C@H]1C[C@H]2CN(CCC(F)(F)F)C[C@H]2C1 |r| Show InChI InChI=1S/C23H26F6N4O2/c1-31-13-20(30-14-31)21(34)33(10-15-3-2-4-19(7-15)35-23(27,28)29)18-8-16-11-32(12-17(16)9-18)6-5-22(24,25)26/h2-4,7,13-14,16-18H,5-6,8-12H2,1H3/t16-,17+,18- | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293563
(1-Methyl-1H-imidazole-4-carboxylic acid(3-chloro-b...)Show SMILES CN1C[C@H]2[C@H](CN(Cc3cccc(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C19H23ClN4O/c1-22-8-15-16(9-22)17(15)10-24(7-13-4-3-5-14(20)6-13)19(25)18-11-23(2)12-21-18/h3-6,11-12,15-17H,7-10H2,1-2H3/t15-,16+,17+ | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293564
(1-Methyl-1H-imidazole-4-carboxylic acid(3-chloro-4...)Show SMILES CN1C[C@H]2[C@H](CN(Cc3ccc(F)c(Cl)c3)C(=O)c3cn(C)cn3)[C@H]2C1 |r| Show InChI InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15+ | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293565
(1-Methyl-1H-imidazole-4-carboxylic acid(3-aza-bicy...)Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CNC[C@H]12)Cc1cccc(OC(F)(F)F)c1 |r| Show InChI InChI=1S/C19H21F3N4O2/c1-25-10-17(24-11-25)18(27)26(9-16-14-6-23-7-15(14)16)8-12-3-2-4-13(5-12)28-19(20,21)22/h2-5,10-11,14-16,23H,6-9H2,1H3/t14-,15+,16+ | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069043
((7R,9aS)-7-(4-Methoxy-phenoxymethyl)-2-pyrimidin-2...)Show SMILES COc1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1 Show InChI InChI=1S/C20H26N4O2/c1-25-18-5-7-19(8-6-18)26-15-16-3-4-17-14-24(12-11-23(17)13-16)20-21-9-2-10-22-20/h2,5-10,16-17H,3-4,11-15H2,1H3/t16-,17+/m1/s1 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069049
((7R,9aS)-7-(4-tert-Butyl-phenoxymethyl)-2-pyrimidi...)Show SMILES CC(C)(C)c1ccc(OC[C@@H]2CC[C@H]3CN(CCN3C2)c2ncccn2)cc1 Show InChI InChI=1S/C23H32N4O/c1-23(2,3)19-6-9-21(10-7-19)28-17-18-5-8-20-16-27(14-13-26(20)15-18)22-24-11-4-12-25-22/h4,6-7,9-12,18,20H,5,8,13-17H2,1-3H3/t18-,20+/m1/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50309964
((endo)-N-(4-fluoro-3-(trifluoromethyl)benzyl)-1-me...)Show SMILES Cn1cnc(c1)C(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)[C@H]1C[C@@H]2CNC[C@@H]2C1 |r| Show InChI InChI=1S/C20H22F4N4O/c1-27-10-18(26-11-27)19(29)28(15-5-13-7-25-8-14(13)6-15)9-12-2-3-17(21)16(4-12)20(22,23)24/h2-4,10-11,13-15,25H,5-9H2,1H3/t13-,14+,15+ | PDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development
Curated by ChEMBL
| Assay Description
Displacement of tritiated NPTS from human glycine transporter 1 expressed in HEK293 cells |
Bioorg Med Chem Lett 20: 907-11 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.071
BindingDB Entry DOI: 10.7270/Q2Z31ZR5 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50069036
((7S,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)Show SMILES C(Oc1ccccc1)[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1 Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17-/m0/s1 | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50069036
((7S,9aS)-7-Phenoxymethyl-2-pyrimidin-2-yl-octahydr...)Show SMILES C(Oc1ccccc1)[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1 Show InChI InChI=1S/C19H24N4O/c1-2-5-18(6-3-1)24-15-16-7-8-17-14-23(12-11-22(17)13-16)19-20-9-4-10-21-19/h1-6,9-10,16-17H,7-8,11-15H2/t16-,17-/m0/s1 | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069044
((7R,9aR)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)Show SMILES Fc1ccc(OC[C@@H]2CC[C@@H]3CN(CCN3C2)c2ncc(F)cn2)cc1 Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17-/m1/s1 | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50069035
((7R,9aS)-7-Phenoxymethyl-2-phenyl-octahydro-pyrido...)Show SMILES C(Oc1ccccc1)[C@@H]1CC[C@H]2CN(CCN2C1)c1ccccc1 Show InChI InChI=1S/C21H26N2O/c1-3-7-19(8-4-1)23-14-13-22-15-18(11-12-20(22)16-23)17-24-21-9-5-2-6-10-21/h1-10,18,20H,11-17H2/t18-,20+/m1/s1 | PDB
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| 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50069039
((7S,9aS)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)Show SMILES Fc1ccc(OC[C@H]2CC[C@H]3CN(CCN3C2)c2ncc(F)cn2)cc1 Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17-/m0/s1 | PDB
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human D2 dopamine receptor in CHO cells by [3H]-spiperone displacement. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293566
(1-Methyl-1H-imidazole-4-carboxylic acid(3-aza-bicy...)Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CNC[C@H]12)Cc1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H21ClN4O/c1-22-10-17(21-11-22)18(24)23(8-12-3-2-4-13(19)5-12)9-16-14-6-20-7-15(14)16/h2-5,10-11,14-16,20H,6-9H2,1H3/t14-,15+,16+ | PDB
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| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50069045
((7S,9aR)-7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-py...)Show SMILES Fc1ccc(OC[C@H]2CC[C@@H]3CN(CCN3C2)c2ncc(F)cn2)cc1 Show InChI InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m0/s1 | PDB
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| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
In vitro binding affinity at human D4 dopamine receptor in CHO cells by [3H]-spiperone displacment. |
Bioorg Med Chem Lett 8: 725-30 (1999)
BindingDB Entry DOI: 10.7270/Q29Z941K |
More data for this
Ligand-Target Pair | |
Sodium- and chloride-dependent glycine transporter 1
(Homo sapiens (Human)) | BDBM50293567
(1-Methyl-1H-imidazole-4-carboxylic acid(3-aza-bicy...)Show SMILES Cn1cnc(c1)C(=O)N(C[C@H]1[C@@H]2CNC[C@H]12)Cc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C18H20ClFN4O/c1-23-9-17(22-10-23)18(25)24(8-14-12-5-21-6-13(12)14)7-11-2-3-16(20)15(19)4-11/h2-4,9-10,12-14,21H,5-8H2,1H3/t12-,13+,14+ | PDB
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| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity to GlyT1 |
Bioorg Med Chem Lett 19: 2974-6 (2009)
Article DOI: 10.1016/j.bmcl.2009.04.035
BindingDB Entry DOI: 10.7270/Q2F76CKH |
More data for this
Ligand-Target Pair | |
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