Found 53 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 |
|---|
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408704
(CHEMBL282229)Show SMILES COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)c2cc1OCCN(C)C Show InChI InChI=1S/C30H32N4O4/c1-19-16-24(29-31-20(2)38-32-29)10-11-25(19)21-6-8-22(9-7-21)30(35)34-13-12-23-17-27(36-5)28(18-26(23)34)37-15-14-33(3)4/h6-11,16-18H,12-15H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM85166
(CAS_3292447 | NSC_3292447 | SB 216641)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C Show InChI InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408701
(CHEMBL21724)Show SMILES CN(C)CCOc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc2CCOc12 Show InChI InChI=1S/C29H30N4O4/c1-18-15-23(28-30-19(2)37-32-28)9-10-25(18)20-5-7-21(8-6-20)29(34)31-24-16-22-11-13-36-27(22)26(17-24)35-14-12-33(3)4/h5-10,15-17H,11-14H2,1-4H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408700
(CHEMBL282693)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1NCCN(C)C Show InChI InChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408705
(CHEMBL20791)Show SMILES CN(C)CCN1CCOc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)cc12 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27-26(18-24)34(15-16-36-27)14-13-33(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408702
(CHEMBL21790)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1CCCN(C)C Show InChI InChI=1S/C29H32N4O3/c1-19-17-24(28-30-20(2)36-32-28)12-14-26(19)21-8-10-22(11-9-21)29(34)31-25-13-15-27(35-5)23(18-25)7-6-16-33(3)4/h8-15,17-18H,6-7,16H2,1-5H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50408705
(CHEMBL20791)Show SMILES CN(C)CCN1CCOc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)cc12 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27-26(18-24)34(15-16-36-27)14-13-33(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50408704
(CHEMBL282229)Show SMILES COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)c2cc1OCCN(C)C Show InChI InChI=1S/C30H32N4O4/c1-19-16-24(29-31-20(2)38-32-29)10-11-25(19)21-6-8-22(9-7-21)30(35)34-13-12-23-17-27(36-5)28(18-26(23)34)37-15-14-33(3)4/h6-11,16-18H,12-15H2,1-5H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50408700
(CHEMBL282693)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1NCCN(C)C Show InChI InChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50408702
(CHEMBL21790)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1CCCN(C)C Show InChI InChI=1S/C29H32N4O3/c1-19-17-24(28-30-20(2)36-32-28)12-14-26(19)21-8-10-22(11-9-21)29(34)31-25-13-15-27(35-5)23(18-25)7-6-16-33(3)4/h8-15,17-18H,6-7,16H2,1-5H3,(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408703
(CHEMBL277467)Show SMILES COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C20H24BrN3O2/c1-14-12-15(4-6-17(14)21)20(25)22-16-5-7-19(26-3)18(13-16)24-10-8-23(2)9-11-24/h4-7,12-13H,8-11H2,1-3H3,(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
Reactome pathway
KEGG
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antibodypedia
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50408703
(CHEMBL277467)Show SMILES COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C20H24BrN3O2/c1-14-12-15(4-6-17(14)21)20(25)22-16-5-7-19(26-3)18(13-16)24-10-8-23(2)9-11-24/h4-7,12-13H,8-11H2,1-3H3,(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408706
(CHEMBL20771)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(Br)c(C)c2)ccc1C Show InChI InChI=1S/C20H24BrN3O/c1-14-4-6-17(13-19(14)24-10-8-23(3)9-11-24)22-20(25)16-5-7-18(21)15(2)12-16/h4-7,12-13H,8-11H2,1-3H3,(H,22,25) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM79215
(CHEMBL15928 | GR 127935 | GR 127935 hydrochloride ...)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50408705
(CHEMBL20791)Show SMILES CN(C)CCN1CCOc2ccc(NC(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)cc12 Show InChI InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27-26(18-24)34(15-16-36-27)14-13-33(3)4/h5-12,17-18H,13-16H2,1-4H3,(H,31,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50408701
(CHEMBL21724)Show SMILES CN(C)CCOc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc2CCOc12 Show InChI InChI=1S/C29H30N4O4/c1-18-15-23(28-30-19(2)37-32-28)9-10-25(18)20-5-7-21(8-6-20)29(34)31-24-16-22-11-13-36-27(22)26(17-24)35-14-12-33(3)4/h5-10,15-17H,11-14H2,1-4H3,(H,31,34) | PDB
Reactome pathway
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UniChem
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PubMed
| 25.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50086096
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)Show SMILES CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1 Show InChI InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM85166
(CAS_3292447 | NSC_3292447 | SB 216641)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C Show InChI InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33) | PDB
Reactome pathway
KEGG
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UniChem
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| Article
PubMed
| 31.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50408700
(CHEMBL282693)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1NCCN(C)C Show InChI InChI=1S/C28H31N5O3/c1-18-16-22(27-30-19(2)36-32-27)10-12-24(18)20-6-8-21(9-7-20)28(34)31-23-11-13-26(35-5)25(17-23)29-14-15-33(3)4/h6-13,16-17,29H,14-15H2,1-5H3,(H,31,34) | PDB
Reactome pathway
KEGG
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UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50408706
(CHEMBL20771)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(Br)c(C)c2)ccc1C Show InChI InChI=1S/C20H24BrN3O/c1-14-4-6-17(13-19(14)24-10-8-23(3)9-11-24)22-20(25)16-5-7-18(21)15(2)12-16/h4-7,12-13H,8-11H2,1-3H3,(H,22,25) | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 39.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM85166
(CAS_3292447 | NSC_3292447 | SB 216641)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1OCCN(C)C Show InChI InChI=1S/C28H30N4O4/c1-18-16-22(27-29-19(2)36-31-27)10-12-24(18)20-6-8-21(9-7-20)28(33)30-23-11-13-25(34-5)26(17-23)35-15-14-32(3)4/h6-13,16-17H,14-15H2,1-5H3,(H,30,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50408701
(CHEMBL21724)Show SMILES CN(C)CCOc1cc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc2CCOc12 Show InChI InChI=1S/C29H30N4O4/c1-18-15-23(28-30-19(2)37-32-28)9-10-25(18)20-5-7-21(8-6-20)29(34)31-24-16-22-11-13-36-27(22)26(17-24)35-14-12-33(3)4/h5-10,15-17H,11-14H2,1-4H3,(H,31,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 50.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50408702
(CHEMBL21790)Show SMILES COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1CCCN(C)C Show InChI InChI=1S/C29H32N4O3/c1-19-17-24(28-30-20(2)36-32-28)12-14-26(19)21-8-10-22(11-9-21)29(34)31-25-13-15-27(35-5)23(18-25)7-6-16-33(3)4/h8-15,17-18H,6-7,16H2,1-5H3,(H,31,34) | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1B
(Homo sapiens (Human)) | BDBM50408707
(CHEMBL21369)Show InChI InChI=1S/C19H22BrN3O/c1-14-12-15(6-7-18(14)20)19(24)21-16-4-3-5-17(13-16)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24) | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1B receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50408706
(CHEMBL20771)Show SMILES CN1CCN(CC1)c1cc(NC(=O)c2ccc(Br)c(C)c2)ccc1C Show InChI InChI=1S/C20H24BrN3O/c1-14-4-6-17(13-19(14)24-10-8-23(3)9-11-24)22-20(25)16-5-7-18(21)15(2)12-16/h4-7,12-13H,8-11H2,1-3H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50408707
(CHEMBL21369)Show InChI InChI=1S/C19H22BrN3O/c1-14-12-15(6-7-18(14)20)19(24)21-16-4-3-5-17(13-16)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24) | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50408703
(CHEMBL277467)Show SMILES COc1ccc(NC(=O)c2ccc(Br)c(C)c2)cc1N1CCN(C)CC1 Show InChI InChI=1S/C20H24BrN3O2/c1-14-12-15(4-6-17(14)21)20(25)22-16-5-7-19(26-3)18(13-16)24-10-8-23(2)9-11-24/h4-7,12-13H,8-11H2,1-3H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50408704
(CHEMBL282229)Show SMILES COc1cc2CCN(C(=O)c3ccc(cc3)-c3ccc(cc3C)-c3noc(C)n3)c2cc1OCCN(C)C Show InChI InChI=1S/C30H32N4O4/c1-19-16-24(29-31-20(2)38-32-29)10-11-25(19)21-6-8-22(9-7-21)30(35)34-13-12-23-17-27(36-5)28(18-26(23)34)37-15-14-33(3)4/h6-11,16-18H,12-15H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50408707
(CHEMBL21369)Show InChI InChI=1S/C19H22BrN3O/c1-14-12-15(6-7-18(14)20)19(24)21-16-4-3-5-17(13-16)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
Reactome pathway
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PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human 5-hydroxytryptamine 2C receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M1
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | UniProtKB/SwissProt
antibodypedia
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CHEMBL
MCE
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PC sid
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| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human cloned Muscarinic acetylcholine receptor M1 |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Sus scrofa) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
KEGG
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PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against piglet hippocampus 5-hydroxytryptamine 4 receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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PC sid
UniChem
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| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human cloned Beta-2 adrenergic receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human cloned Alpha-2A adrenergic receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity towards Histamine H2 receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50086096
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)Show SMILES CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1 Show InChI InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35) | PDB
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
Alpha-1B adrenergic receptor
(Rattus norvegicus (rat)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | 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 |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against Alpha-1B adrenergic receptor (rat liver ,[3H] prazosin) |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human cloned Dopamine receptor D2 |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
Histamine H1 receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | UniProtKB/SwissProt
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against Histamine H1 receptor. |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
Alpha-2B adrenergic receptor
(MOUSE) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against Alpha-2B adrenergic receptor (NG 108-15 cells) using [3H]RX-821002) as radioligand |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human cloned Beta-1 adrenergic receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
Alpha-1A adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against Alpha-1A adrenergic receptor (rat submaxillary gland) |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human cloned Dopamine receptor D3 |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human cloned Muscarinic acetylcholine receptor M2 |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| 1.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 2A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1D
(Homo sapiens (Human)) | BDBM50086096
(2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biph...)Show SMILES CN1CCC2(COc3ccc(NC(=O)c4ccc(cc4)-c4ccc(cc4C)-c4noc(C)n4)cc23)CC1 Show InChI InChI=1S/C30H30N4O3/c1-19-16-23(28-31-20(2)37-33-28)8-10-25(19)21-4-6-22(7-5-21)29(35)32-24-9-11-27-26(17-24)30(18-36-27)12-14-34(3)15-13-30/h4-11,16-17H,12-15,18H2,1-3H3,(H,32,35) | PDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity for human 5-hydroxytryptamine 1D receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| >3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human 5-hydroxytryptamine 1A receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1F
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human 5-hydroxytryptamine 1F receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1E
(Homo sapiens (Human)) | BDBM50084959
(11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadia...)Show SMILES CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1 Show InChI InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against human 5-hydroxytryptamine 1E receptor |
J Med Chem 41: 1218-35 (1998)
Article DOI: 10.1021/jm970457s
BindingDB Entry DOI: 10.7270/Q2XS5WMN |
More data for this
Ligand-Target Pair | |
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