Found 734 hits with Last Name = 'lowe' and Initial = 'ja' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Neuronal acetylcholine receptor Alpha-4/Beta-2
(Homo sapiens (Human)) | BDBM50166908
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
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antibodypedia
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CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 0.295 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | 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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CHEBI
CHEMBL
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KEGG
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PC sid
PDB
UniChem
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Similars
| Article
PubMed
| 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
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 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
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 Inc
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 | |
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 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 Inc
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 | |
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 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
Reactome pathway
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| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
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 | |
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 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
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
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
(Rattus norvegicus (rat)) | BDBM50007692
(8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-bu...)Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C24H32N4O2S/c29-21-17-24(9-3-4-10-24)18-22(30)28(21)12-6-5-11-26-13-15-27(16-14-26)23-19-7-1-2-8-20(19)31-25-23/h1-2,7-8H,3-6,9-18H2 | PDB
Reactome pathway
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
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 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
Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
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 | |
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 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
Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
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 | |
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 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
Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
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 | |
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 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
Reactome pathway
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| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
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 | |
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 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
Reactome pathway
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PC sid
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| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
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 | |
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 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
Reactome pathway
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PC sid
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| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
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 | |
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 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
Reactome pathway
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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 Inc
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 | |
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 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
Reactome pathway
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Similars
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PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
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 | |
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 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
Reactome pathway
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PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
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 | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50081081
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29) | Reactome pathway
UniProtKB/SwissProt
UniProtKB/TrEMBL
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Binding affinity of compound to human 5-hydroxytryptamine 1A receptor |
Bioorg Med Chem Lett 9: 2569-72 (1999)
Article DOI: 10.1016/s0960-894x(99)00432-1
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50048806
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CCN1C(=O)Cc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12 Show InChI InChI=1S/C23H26N4OS/c1-2-27-20-8-7-17(15-18(20)16-22(27)28)9-10-25-11-13-26(14-12-25)23-19-5-3-4-6-21(19)29-24-23/h3-8,15H,2,9-14,16H2,1H3 | PDB
Reactome pathway
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PC cid
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| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50048807
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES CC1(C)C(=O)Nc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12 Show InChI InChI=1S/C23H26N4OS/c1-23(2)18-15-16(7-8-19(18)24-22(23)28)9-10-26-11-13-27(14-12-26)21-17-5-3-4-6-20(17)29-25-21/h3-8,15H,9-14H2,1-2H3,(H,24,28) | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50001885
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3 | PDB
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
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 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 Inc
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 | |
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 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 Inc
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 | |
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 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 Inc
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
(Rattus norvegicus (rat)) | BDBM50048804
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show InChI InChI=1S/C21H22N4OS/c26-20-14-16-13-15(5-6-18(16)22-20)7-8-24-9-11-25(12-10-24)21-17-3-1-2-4-19(17)27-23-21/h1-6,13H,7-12,14H2,(H,22,26) | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
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 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 Inc
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
(Rattus norvegicus (rat)) | BDBM50048805
(5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES Fc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21FN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50048802
(5'-[2-(4-benzo[d]isothiazol-3-ylhexahydro-1-pyrazi...)Show SMILES O=C1Nc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2C11CCCC1 Show InChI InChI=1S/C25H28N4OS/c30-24-25(10-3-4-11-25)20-17-18(7-8-21(20)26-24)9-12-28-13-15-29(16-14-28)23-19-5-1-2-6-22(19)31-27-23/h1-2,5-8,17H,3-4,9-16H2,(H,26,30) | PDB
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
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 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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| 4.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
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 | |
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 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 Inc
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(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50048803
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12 Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27) | PDB
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| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50048800
(6-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2s1 Show InChI InChI=1S/C20H20N4OS2/c25-20-21-16-6-5-14(13-18(16)26-20)7-8-23-9-11-24(12-10-23)19-15-3-1-2-4-17(15)27-22-19/h1-6,13H,7-12H2,(H,21,25) | PDB
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| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
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 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 Inc
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 | |
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 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 Inc
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
(Rattus norvegicus (rat)) | BDBM50048801
(6-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-et...)Show SMILES O=c1[nH]c2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc2o1 Show InChI InChI=1S/C20H20N4O2S/c25-20-21-16-6-5-14(13-17(16)26-20)7-8-23-9-11-24(12-10-23)19-15-3-1-2-4-18(15)27-22-19/h1-6,13H,7-12H2,(H,21,25) | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor Alpha-4/Beta-2
(Homo sapiens (Human)) | BDBM82070
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1 | PDB
MMDB
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Article
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| 9.46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 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 Inc
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 | |
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 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 Inc
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(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50081081
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29) | PDB
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PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Binding ability of compound to human Dopamine receptor D2 |
Bioorg Med Chem Lett 9: 2569-72 (1999)
Article DOI: 10.1016/s0960-894x(99)00432-1
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
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 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 Inc
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 | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50081081
(6-{4-[2-(4-Quinolin-8-yl-piperazin-1-yl)-ethyl]-ph...)Show SMILES Nc1cccc(n1)-c1ccc(CCN2CCN(CC2)c2cccc3cccnc23)cc1 Show InChI InChI=1S/C26H27N5/c27-25-8-2-6-23(29-25)21-11-9-20(10-12-21)13-15-30-16-18-31(19-17-30)24-7-1-4-22-5-3-14-28-26(22)24/h1-12,14H,13,15-19H2,(H2,27,29) | PDB
MMDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Binding affinity of compound to human 5-hydroxytryptamine 2A receptor |
Bioorg Med Chem Lett 9: 2569-72 (1999)
Article DOI: 10.1016/s0960-894x(99)00432-1
BindingDB Entry DOI: 10.7270/Q2BC3XRP |
More data for this
Ligand-Target Pair | |
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 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 Inc
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 | |
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 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 Inc
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 | |
5-hydroxytryptamine receptor 2A
(Rattus norvegicus (rat)) | 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
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| Article
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
In vitro ability of the compound to displace [3H]-ketanserin from 5-hydroxytryptamine 2A receptor in rat brain. |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Rattus norvegicus (rat)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)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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| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]-NPA from rat brain Dopamine receptor D2 |
J Med Chem 39: 143-8 (1996)
Article DOI: 10.1021/jm950625l
BindingDB Entry DOI: 10.7270/Q2ZG6RB0 |
More data for this
Ligand-Target Pair | |
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 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 Inc
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 | |
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 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 Inc
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 | |
Neuronal acetylcholine receptor protein alpha-7 subunit
(Homo sapiens (Human)) | BDBM50166908
(5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca...)Show InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2 | PDB
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| 125 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha7 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this
Ligand-Target Pair | |
Neuronal acetylcholine receptor Alpha-4/Beta-2
(Homo sapiens (Human)) | BDBM50323673
((1S,6R,5S)-[6-(2-(5-Hydroxypyridin-3-yl)phenoxy))]...)Show SMILES Oc1cncc(c1)-c1ccccc1O[C@@H]1C[C@@H]2C[C@H]1CNC2 Show InChI InChI=1S/C18H20N2O2/c21-15-7-13(9-20-11-15)16-3-1-2-4-17(16)22-18-6-12-5-14(18)10-19-8-12/h1-4,7,9,11-12,14,18-19,21H,5-6,8,10H2/t12-,14-,18+/m0/s1 | PDB
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| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(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 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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| 177 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled dofetilide from human ERG 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 | |
Neuronal acetylcholine receptor Alpha-4/Beta-2
(Homo sapiens (Human)) | BDBM50323678
(CHEMBL1209186 | rac-exo-[6-(2-(4-Methanesulfonylam...)Show SMILES CS(=O)(=O)Nc1ccncc1-c1ccccc1O[C@H]1C[C@H]2C[C@@H]1CNC2 Show InChI InChI=1S/C19H23N3O3S/c1-26(23,24)22-17-6-7-20-12-16(17)15-4-2-3-5-18(15)25-19-9-13-8-14(19)11-21-10-13/h2-7,12-14,19,21H,8-11H2,1H3,(H,20,22)/t13-,14-,19+/m1/s1 | PDB
MMDB
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PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]epibatidine from alpha4beta2 nicotinic receptor expressed in human HEK293 cells |
Bioorg Med Chem Lett 20: 4749-52 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.142
BindingDB Entry DOI: 10.7270/Q2QC04GV |
More data for this
Ligand-Target Pair | |
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