Found 47 hits with Last Name = 'cahir' 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 |
|---|
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50143674
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50143664
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | Reactome pathway
KEGG
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| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50165417
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | KEGG
UniProtKB/SwissProt
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CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50143674
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50165418
(8-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50143674
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50165419
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50143664
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
Reactome pathway
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Dopamine receptor D2 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50143661
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50165417
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50165418
(8-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50143664
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50143664
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1B adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50143661
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50165419
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50143674
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2 | UniProtKB/SwissProt
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PubMed
| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1B adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50143661
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2 | KEGG
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PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50143664
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
Reactome pathway
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PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Dopamine receptor D2 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | KEGG
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PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50099326
(8-{(S)-1-Methyl-2-[4-(2,4,5-trifluoro-phenyl)-pipe...)Show SMILES C[C@@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m0/s1 | Reactome pathway
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PubMed
| >124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1D adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50143674
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2 | PDB
Reactome pathway
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PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Dopamine receptor D2 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Rattus norvegicus (Rat)) | BDBM50165419
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | KEGG
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| Article
PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for rat Dopamine receptor D3 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | UniProtKB/SwissProt
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| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1B adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | UniProtKB/SwissProt
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PubMed
| 191 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1B adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50143661
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2 | UniProtKB/SwissProt
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PubMed
| 255 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1B adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50026917
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 | PDB
Reactome pathway
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| 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1A adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | PDB
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PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50165417
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2 | PDB
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PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50165417
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2 | UniProtKB/SwissProt
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PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1B adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | PDB
Reactome pathway
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| 580 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Dopamine receptor D2 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50143661
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2 | PDB
Reactome pathway
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PubMed
| 620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1A adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50143674
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2 | PDB
Reactome pathway
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| 630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1A adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50165417
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2 | PDB
Reactome pathway
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PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Dopamine receptor D2 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50143664
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
Reactome pathway
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1A adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50165418
(8-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1B adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Homo sapiens (Human)) | BDBM50165419
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1B adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50143661
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Dopamine receptor D2 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50165419
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Dopamine receptor D2 |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50165418
(8-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1 Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1A adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50165419
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1A adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50165417
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1A adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Homo sapiens (Human)) | BDBM50122803
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lundbeck Research USA, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity for human Alpha-1A adrenergic receptor |
J Med Chem 48: 3076-9 (2005)
Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K |
More data for this
Ligand-Target Pair | |
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