Found 56 hits of Enzyme Inhibition Constant Data 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)) | BDBM35254
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3 | PDB
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| DrugBank
Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151315
(CHEMBL3769534)Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN4O4/c1-3-34-22-7-5-4-6-21(22)29-14-12-28(13-15-29)16-20(31)17-30-23(32)25(2,27-24(30)33)18-8-10-19(26)11-9-18/h4-11,20,31H,3,12-17H2,1-2H3,(H,27,33) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151314
(CHEMBL3770639)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H26FN5O3/c1-24(18-6-8-19(25)9-7-18)22(32)30(23(33)27-24)16-20(31)15-28-10-12-29(13-11-28)21-5-3-2-4-17(21)14-26/h2-9,20,31H,10-13,15-16H2,1H3,(H,27,33) | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151313
(CHEMBL3771309)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-5-7-16(26)8-6-15)21(32)30(22(33)27-23)14-17(31)13-28-9-11-29(12-10-28)19-4-2-3-18(24)20(19)25/h2-8,17,31H,9-14H2,1H3,(H,27,33) | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(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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PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50001859
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151306
(CHEMBL3769606)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-6-8-17(25)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)24/h2-9,18,30H,10-15H2,1H3,(H,26,32) | PDB
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PubMed
| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151312
(CHEMBL3769612)Show SMILES Cc1ccc(C)c(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN4O3/c1-17-4-5-18(2)22(14-17)29-12-10-28(11-13-29)15-21(31)16-30-23(32)25(3,27-24(30)33)19-6-8-20(26)9-7-19/h4-9,14,21,31H,10-13,15-16H2,1-3H3,(H,27,33) | PDB
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| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151313
(CHEMBL3771309)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-5-7-16(26)8-6-15)21(32)30(22(33)27-23)14-17(31)13-28-9-11-29(12-10-28)19-4-2-3-18(24)20(19)25/h2-8,17,31H,9-14H2,1H3,(H,27,33) | PDB
UniProtKB/SwissProt
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PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151301
(CHEMBL3771222)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C30H33FN4O3/c1-30(24-12-14-25(31)15-13-24)28(37)35(29(38)32-30)21-26(36)20-33-16-18-34(19-17-33)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26-27,36H,16-21H2,1H3,(H,32,38) | PDB
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PubMed
| 79 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151308
(CHEMBL3769441)Show SMILES COc1cccc(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H29FN4O4/c1-24(17-6-8-18(25)9-7-17)22(31)29(23(32)26-24)16-20(30)15-27-10-12-28(13-11-27)19-4-3-5-21(14-19)33-2/h3-9,14,20,30H,10-13,15-16H2,1-2H3,(H,26,32) | PDB
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PubMed
| 89 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151315
(CHEMBL3769534)Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN4O4/c1-3-34-22-7-5-4-6-21(22)29-14-12-28(13-15-29)16-20(31)17-30-23(32)25(2,27-24(30)33)18-8-10-19(26)11-9-18/h4-11,20,31H,3,12-17H2,1-2H3,(H,27,33) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151315
(CHEMBL3769534)Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN4O4/c1-3-34-22-7-5-4-6-21(22)29-14-12-28(13-15-29)16-20(31)17-30-23(32)25(2,27-24(30)33)18-8-10-19(26)11-9-18/h4-11,20,31H,3,12-17H2,1-2H3,(H,27,33) | PDB
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PubMed
| 127 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151303
(CHEMBL3770581)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-2-4-16(26)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)17-6-7-19(24)20(25)12-17/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33) | PDB
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PubMed
| 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151302
(CHEMBL3770110)Show SMILES Cc1ccc(cc1C)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN4O3/c1-17-4-9-21(14-18(17)2)29-12-10-28(11-13-29)15-22(31)16-30-23(32)25(3,27-24(30)33)19-5-7-20(26)8-6-19/h4-9,14,22,31H,10-13,15-16H2,1-3H3,(H,27,33) | PDB
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PubMed
| 177 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151309
(CHEMBL3769836)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O3/c1-23(17-7-9-18(24)10-8-17)21(30)28(22(31)25-23)16-20(29)15-26-11-13-27(14-12-26)19-5-3-2-4-6-19/h2-10,20,29H,11-16H2,1H3,(H,25,31) | PDB
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PubMed
| 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151307
(CHEMBL3770473)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-6-8-17(24)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)25/h2-9,18,30H,10-15H2,1H3,(H,26,32) | PDB
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PubMed
| 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151301
(CHEMBL3771222)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C30H33FN4O3/c1-30(24-12-14-25(31)15-13-24)28(37)35(29(38)32-30)21-26(36)20-33-16-18-34(19-17-33)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26-27,36H,16-21H2,1H3,(H,32,38) | PDB
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PubMed
| 261 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151313
(CHEMBL3771309)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-5-7-16(26)8-6-15)21(32)30(22(33)27-23)14-17(31)13-28-9-11-29(12-10-28)19-4-2-3-18(24)20(19)25/h2-8,17,31H,9-14H2,1H3,(H,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151314
(CHEMBL3770639)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H26FN5O3/c1-24(18-6-8-19(25)9-7-18)22(32)30(23(33)27-24)16-20(31)15-28-10-12-29(13-11-28)21-5-3-2-4-17(21)14-26/h2-9,20,31H,10-13,15-16H2,1H3,(H,27,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 319 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151306
(CHEMBL3769606)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-6-8-17(25)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)24/h2-9,18,30H,10-15H2,1H3,(H,26,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 397 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151310
(CHEMBL3302600)Show SMILES COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H29FN4O4/c1-24(17-7-9-18(25)10-8-17)22(31)29(23(32)26-24)16-19(30)15-27-11-13-28(14-12-27)20-5-3-4-6-21(20)33-2/h3-10,19,30H,11-16H2,1-2H3,(H,26,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 715 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151303
(CHEMBL3770581)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-2-4-16(26)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)17-6-7-19(24)20(25)12-17/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 821 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151311
(CHEMBL3770293)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-2-4-17(24)5-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-6-18(25)7-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 837 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151306
(CHEMBL3769606)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2Cl)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-6-8-17(25)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)24/h2-9,18,30H,10-15H2,1H3,(H,26,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 839 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151305
(CHEMBL3770522)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-2-6-18(25)7-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-4-17(24)5-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 908 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151314
(CHEMBL3770639)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H26FN5O3/c1-24(18-6-8-19(25)9-7-18)22(32)30(23(33)27-24)16-20(31)15-28-10-12-29(13-11-28)21-5-3-2-4-17(21)14-26/h2-9,20,31H,10-13,15-16H2,1H3,(H,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 931 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151302
(CHEMBL3770110)Show SMILES Cc1ccc(cc1C)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN4O3/c1-17-4-9-21(14-18(17)2)29-12-10-28(11-13-29)15-22(31)16-30-23(32)25(3,27-24(30)33)19-5-7-20(26)8-6-19/h4-9,14,22,31H,10-13,15-16H2,1-3H3,(H,27,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151304
(CHEMBL3769536)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2F)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H25F3N4O3/c1-23(15-2-4-16(24)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)20-7-6-17(25)12-19(20)26/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151312
(CHEMBL3769612)Show SMILES Cc1ccc(C)c(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN4O3/c1-17-4-5-18(2)22(14-17)29-12-10-28(11-13-29)15-21(31)16-30-23(32)25(3,27-24(30)33)19-6-8-20(26)9-7-19/h4-9,14,21,31H,10-13,15-16H2,1-3H3,(H,27,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151307
(CHEMBL3770473)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-6-8-17(24)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)25/h2-9,18,30H,10-15H2,1H3,(H,26,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151307
(CHEMBL3770473)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2F)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-6-8-17(24)9-7-16)21(31)29(22(32)26-23)15-18(30)14-27-10-12-28(13-11-27)20-5-3-2-4-19(20)25/h2-9,18,30H,10-15H2,1H3,(H,26,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151312
(CHEMBL3769612)Show SMILES Cc1ccc(C)c(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN4O3/c1-17-4-5-18(2)22(14-17)29-12-10-28(11-13-29)15-21(31)16-30-23(32)25(3,27-24(30)33)19-6-8-20(26)9-7-19/h4-9,14,21,31H,10-13,15-16H2,1-3H3,(H,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151303
(CHEMBL3770581)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-2-4-16(26)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)17-6-7-19(24)20(25)12-17/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151302
(CHEMBL3770110)Show SMILES Cc1ccc(cc1C)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN4O3/c1-17-4-9-21(14-18(17)2)29-12-10-28(11-13-29)15-22(31)16-30-23(32)25(3,27-24(30)33)19-5-7-20(26)8-6-19/h4-9,14,22,31H,10-13,15-16H2,1-3H3,(H,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151309
(CHEMBL3769836)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O3/c1-23(17-7-9-18(24)10-8-17)21(30)28(22(31)25-23)16-20(29)15-26-11-13-27(14-12-26)19-5-3-2-4-6-19/h2-10,20,29H,11-16H2,1H3,(H,25,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151309
(CHEMBL3769836)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O3/c1-23(17-7-9-18(24)10-8-17)21(30)28(22(31)25-23)16-20(29)15-26-11-13-27(14-12-26)19-5-3-2-4-6-19/h2-10,20,29H,11-16H2,1H3,(H,25,31) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151308
(CHEMBL3769441)Show SMILES COc1cccc(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H29FN4O4/c1-24(17-6-8-18(25)9-7-17)22(31)29(23(32)26-24)16-20(30)15-27-10-12-28(13-11-27)19-4-3-5-21(14-19)33-2/h3-9,14,20,30H,10-13,15-16H2,1-2H3,(H,26,32) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151305
(CHEMBL3770522)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-2-6-18(25)7-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-4-17(24)5-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32) | PDB
Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151308
(CHEMBL3769441)Show SMILES COc1cccc(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H29FN4O4/c1-24(17-6-8-18(25)9-7-17)22(31)29(23(32)26-24)16-20(30)15-27-10-12-28(13-11-27)19-4-3-5-21(14-19)33-2/h3-9,14,20,30H,10-13,15-16H2,1-2H3,(H,26,32) | PDB
Reactome pathway
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PC sid
UniChem
Similars
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PubMed
| 5.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151305
(CHEMBL3770522)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)cc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26ClFN4O3/c1-23(16-2-6-18(25)7-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-4-17(24)5-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32) | PDB
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UniChem
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PubMed
| 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151301
(CHEMBL3771222)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C30H33FN4O3/c1-30(24-12-14-25(31)15-13-24)28(37)35(29(38)32-30)21-26(36)20-33-16-18-34(19-17-33)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26-27,36H,16-21H2,1H3,(H,32,38) | PDB
UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| 5.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151311
(CHEMBL3770293)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-2-4-17(24)5-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-6-18(25)7-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32) | PDB
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PubMed
| 5.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50151304
(CHEMBL3769536)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2F)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H25F3N4O3/c1-23(15-2-4-16(24)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)20-7-6-17(25)12-19(20)26/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33) | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| 6.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151311
(CHEMBL3770293)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H26F2N4O3/c1-23(16-2-4-17(24)5-3-16)21(31)29(22(32)26-23)15-20(30)14-27-10-12-28(13-11-27)19-8-6-18(25)7-9-19/h2-9,20,30H,10-15H2,1H3,(H,26,32) | PDB
UniProtKB/SwissProt
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PC sid
UniChem
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PubMed
| 6.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50151304
(CHEMBL3769536)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(F)cc2F)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H25F3N4O3/c1-23(15-2-4-16(24)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)20-7-6-17(25)12-19(20)26/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33) | PDB
UniProtKB/SwissProt
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PC sid
UniChem
Similars
| Article
PubMed
| 9.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM78940
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins... |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151315
(CHEMBL3769534)Show SMILES CCOc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN4O4/c1-3-34-22-7-5-4-6-21(22)29-14-12-28(13-15-29)16-20(31)17-30-23(32)25(2,27-24(30)33)18-8-10-19(26)11-9-18/h4-11,20,31H,3,12-17H2,1-2H3,(H,27,33) | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins... |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM8610
(1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...)Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 | PDB
MMDB
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PDB
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Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human CYP3A4 by luminescence -based microplate reader assay |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151314
(CHEMBL3770639)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccccc2C#N)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H26FN5O3/c1-24(18-6-8-19(25)9-7-18)22(32)30(23(33)27-24)16-20(31)15-28-10-12-29(13-11-28)21-5-3-2-4-17(21)14-26/h2-9,20,31H,10-13,15-16H2,1H3,(H,27,33) | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 343 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins... |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151310
(CHEMBL3302600)Show SMILES COc1ccccc1N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H29FN4O4/c1-24(17-7-9-18(25)10-8-17)22(31)29(23(32)26-24)16-19(30)15-27-11-13-28(14-12-27)20-5-3-4-6-21(20)33-2/h3-10,19,30H,11-16H2,1-2H3,(H,26,32) | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins... |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151312
(CHEMBL3769612)Show SMILES Cc1ccc(C)c(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C25H31FN4O3/c1-17-4-5-18(2)22(14-17)29-12-10-28(11-13-29)15-21(31)16-30-23(32)25(3,27-24(30)33)19-6-8-20(26)9-7-19/h4-9,14,21,31H,10-13,15-16H2,1-3H3,(H,27,33) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins... |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151313
(CHEMBL3771309)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2cccc(Cl)c2Cl)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-5-7-16(26)8-6-15)21(32)30(22(33)27-23)14-17(31)13-28-9-11-29(12-10-28)19-4-2-3-18(24)20(19)25/h2-8,17,31H,9-14H2,1H3,(H,27,33) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 1.39E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins... |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151301
(CHEMBL3771222)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)C(c2ccccc2)c2ccccc2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C30H33FN4O3/c1-30(24-12-14-25(31)15-13-24)28(37)35(29(38)32-30)21-26(36)20-33-16-18-34(19-17-33)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,26-27,36H,16-21H2,1H3,(H,32,38) | PDB
Reactome pathway
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins... |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151308
(CHEMBL3769441)Show SMILES COc1cccc(c1)N1CCN(CC(O)CN2C(=O)NC(C)(C2=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C24H29FN4O4/c1-24(17-6-8-18(25)9-7-17)22(31)29(23(32)26-24)16-20(30)15-27-10-12-28(13-11-27)19-4-3-5-21(14-19)33-2/h3-9,14,20,30H,10-13,15-16H2,1-2H3,(H,26,32) | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 5.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins... |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 7
(Homo sapiens (Human)) | BDBM50151303
(CHEMBL3770581)Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1 Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-2-4-16(26)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)17-6-7-19(24)20(25)12-17/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins... |
Eur J Med Chem 112: 258-69 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50 |
More data for this
Ligand-Target Pair | |
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