Found 493 hits with Last Name = 'jessiman' and Initial = 'a' 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 2C
(Homo sapiens (Human)) | BDBM50086246
(CHEMBL3425758)Show InChI InChI=1S/C20H25N3/c1-2-4-15(5-3-1)12-18-13-17-8-10-21-11-9-19(17)20(23-18)22-14-16-6-7-16/h1-5,13,16,21H,6-12,14H2,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086248
(CHEMBL3425756)Show InChI InChI=1S/C18H23N3/c1-2-20-18-17-9-11-19-10-8-15(17)13-16(21-18)12-14-6-4-3-5-7-14/h3-7,13,19H,2,8-12H2,1H3,(H,20,21) | PDB
Reactome pathway
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086249
(CHEMBL3425755)Show InChI InChI=1S/C17H21N3/c1-18-17-16-8-10-19-9-7-14(16)12-15(20-17)11-13-5-3-2-4-6-13/h2-6,12,19H,7-11H2,1H3,(H,18,20) | PDB
Reactome pathway
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| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086250
(CHEMBL3425759)Show InChI InChI=1S/C19H25N3/c1-2-10-21-19-18-9-12-20-11-8-16(18)14-17(22-19)13-15-6-4-3-5-7-15/h3-7,14,20H,2,8-13H2,1H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019696
(CHEMBL3286557)Show InChI InChI=1S/C16H18F2N4/c1-19-14-12-7-9-20-10-8-13(12)21-15(22-14)16(17,18)11-5-3-2-4-6-11/h2-6,20H,7-10H2,1H3,(H,19,21,22) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086252
(CHEMBL3425762)Show InChI InChI=1S/C18H23N3/c1-21(2)18-17-9-11-19-10-8-15(17)13-16(20-18)12-14-6-4-3-5-7-14/h3-7,13,19H,8-12H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086247
(CHEMBL3425757)Show InChI InChI=1S/C20H27N3/c1-15(2)14-22-20-19-9-11-21-10-8-17(19)13-18(23-20)12-16-6-4-3-5-7-16/h3-7,13,15,21H,8-12,14H2,1-2H3,(H,22,23) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086251
(CHEMBL3425760)Show InChI InChI=1S/C19H25N3/c1-14(2)21-19-18-9-11-20-10-8-16(18)13-17(22-19)12-15-6-4-3-5-7-15/h3-7,13-14,20H,8-12H2,1-2H3,(H,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50161646
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1 | PDB
Reactome pathway
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GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
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| PDB
Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem Lett 21: 2715-20 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019685
(CHEMBL3286556)Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019682
(CHEMBL3286564)Show InChI InChI=1S/C19H24N4O/c1-2-4-15(5-3-1)14-18-21-17-7-9-20-8-6-16(17)19(22-18)23-10-12-24-13-11-23/h1-5,20H,6-14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086245
(CHEMBL3425761)Show InChI InChI=1S/C23H25N3/c1-3-7-18(8-4-1)15-21-16-20-11-13-24-14-12-22(20)23(26-21)25-17-19-9-5-2-6-10-19/h1-10,16,24H,11-15,17H2,(H,25,26) | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019664
(CHEMBL3286562)Show InChI InChI=1S/C17H22N4/c1-2-19-17-14-8-10-18-11-9-15(14)20-16(21-17)12-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3,(H,19,20,21) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019691
(CHEMBL3286565)Show InChI InChI=1S/C17H22N4/c1-12(13-6-4-3-5-7-13)16-20-15-9-11-19-10-8-14(15)17(18-2)21-16/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019663
(CHEMBL3286561)Show InChI InChI=1S/C16H20N4/c1-17-16-13-7-9-18-10-8-14(13)19-15(20-16)11-12-5-3-2-4-6-12/h2-6,18H,7-11H2,1H3,(H,17,19,20) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50086253
(CHEMBL3425763)Show InChI InChI=1S/C16H18N2/c1-2-4-13(5-3-1)10-16-11-14-6-8-17-9-7-15(14)12-18-16/h1-5,11-12,17H,6-10H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of Cy3B conjugated serotonin analogue binding to human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cell membranes after 60 mi... |
ACS Med Chem Lett 6: 329-33 (2015)
Article DOI: 10.1021/ml500507v
BindingDB Entry DOI: 10.7270/Q29K4CZW |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019662
(CHEMBL3286560)Show InChI InChI=1S/C16H19N3O/c1-20-16-13-7-9-17-10-8-14(13)18-15(19-16)11-12-5-3-2-4-6-12/h2-6,17H,7-11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019691
(CHEMBL3286565)Show InChI InChI=1S/C17H22N4/c1-12(13-6-4-3-5-7-13)16-20-15-9-11-19-10-8-14(15)17(18-2)21-16/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019692
(CHEMBL3286566)Show InChI InChI=1S/C18H24N4/c1-18(2,13-7-5-4-6-8-13)17-21-15-10-12-20-11-9-14(15)16(19-3)22-17/h4-8,20H,9-12H2,1-3H3,(H,19,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019695
(CHEMBL3286555)Show InChI InChI=1S/C17H22N4/c1-12-11-19-9-8-14-16(12)20-15(21-17(14)18-2)10-13-6-4-3-5-7-13/h3-7,12,19H,8-11H2,1-2H3,(H,18,20,21)/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50342539
(2-(3-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-2-11(8-13)9-15-18-10-12-4-6-17-7-5-14(12)19-15/h1-3,8,10,17H,4-7,9H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 84 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
Bioorg Med Chem Lett 21: 2715-20 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019694
(CHEMBL3286554)Show InChI InChI=1S/C18H22N4/c1-19-16-14-7-11-20-12-8-15(14)21-17(22-16)18(9-10-18)13-5-3-2-4-6-13/h2-6,20H,7-12H2,1H3,(H,19,21,22) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50342538
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2 | PDB
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PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50342538
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2 | PDB
Reactome pathway
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PubMed
| 160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
Bioorg Med Chem Lett 21: 2715-20 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50161646
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1 | PDB
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Article
PubMed
| 167 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
Bioorg Med Chem Lett 21: 2715-20 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019674
(CHEMBL3286563)Show InChI InChI=1S/C17H22N4/c1-21(2)17-14-8-10-18-11-9-15(14)19-16(20-17)12-13-6-4-3-5-7-13/h3-7,18H,8-12H2,1-2H3 | PDB
Reactome pathway
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PubMed
| 233 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50342547
(2-(3-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)Show InChI InChI=1S/C16H19N3/c1-12-3-2-4-13(9-12)10-16-18-11-14-5-7-17-8-6-15(14)19-16/h2-4,9,11,17H,5-8,10H2,1H3 | PDB
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PubMed
| 244 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
Bioorg Med Chem Lett 21: 2715-20 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50342548
(2-(2-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)Show InChI InChI=1S/C16H19N3/c1-12-4-2-3-5-13(12)10-16-18-11-14-6-8-17-9-7-15(14)19-16/h2-5,11,17H,6-10H2,1H3 | PDB
Reactome pathway
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PubMed
| 305 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
Bioorg Med Chem Lett 21: 2715-20 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50342544
(2-(3-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-5...)Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-15-21-10-12-4-6-20-7-5-14(12)22-15/h1-3,8,10,20H,4-7,9H2 | PDB
Reactome pathway
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PubMed
| 308 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
Bioorg Med Chem Lett 21: 2715-20 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50342549
(2-(4-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)Show InChI InChI=1S/C15H16FN3/c16-13-3-1-11(2-4-13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2 | PDB
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PubMed
| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
Bioorg Med Chem Lett 21: 2715-20 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50019661
(CHEMBL3286559)Show InChI InChI=1S/C15H18N4/c16-15-12-6-8-17-9-7-13(12)18-14(19-15)10-11-4-2-1-3-5-11/h1-5,17H,6-10H2,(H2,16,18,19) | PDB
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PubMed
| 958 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-mesulergine from human recombinant 5-HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
J Med Chem 57: 5258-69 (2014)
Article DOI: 10.1021/jm5003292
BindingDB Entry DOI: 10.7270/Q2J104RF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50342545
(2-(2-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)Show InChI InChI=1S/C15H16ClN3/c16-13-4-2-1-3-11(13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2 | PDB
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PubMed
| 1.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay |
Bioorg Med Chem Lett 21: 2715-20 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50089252
(CHEMBL3577889)Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccc2cn1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-8-21(13-18)26(31)32)25(30)24-14-20-6-2-3-7-22(20)15-28-24/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1 | PDB
MMDB
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PubMed
| >9.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dofetilide binding to human ERG |
ACS Med Chem Lett 6: 419-24 (2015)
Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50089251
(CHEMBL3576881)Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cn2ccccc2n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20FN3O3/c1-16(18-8-10-20(25)11-9-18)28(14-17-5-4-6-19(13-17)24(30)31)23(29)21-15-27-12-3-2-7-22(27)26-21/h2-13,15-16H,14H2,1H3,(H,30,31)/t16-/m1/s1 | PDB
MMDB
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| Article
PubMed
| >9.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dofetilide binding to human ERG |
ACS Med Chem Lett 6: 419-24 (2015)
Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50089248
(CHEMBL3577881)Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccn2n1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H20FN3O3/c1-16(18-8-10-20(25)11-9-18)27(15-17-5-4-6-19(13-17)24(30)31)23(29)22-14-21-7-2-3-12-28(21)26-22/h2-14,16H,15H2,1H3,(H,30,31)/t16-/m1/s1 | PDB
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PubMed
| >9.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dofetilide binding to human ERG |
ACS Med Chem Lett 6: 419-24 (2015)
Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50089253
(CHEMBL3577900)Show SMILES CC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H23FN2O3/c1-2-25(19-10-12-23(28)13-11-19)30(17-18-6-5-8-21(14-18)27(32)33)26(31)22-15-20-7-3-4-9-24(20)29-16-22/h3-16,25H,2,17H2,1H3,(H,32,33)/t25-/m1/s1 | PDB
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PubMed
| >1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dofetilide binding to human ERG |
ACS Med Chem Lett 6: 419-24 (2015)
Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50089245
(CHEMBL3577885)Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1 | PDB
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| Article
PubMed
| >1.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of dofetilide binding to human ERG |
ACS Med Chem Lett 6: 419-24 (2015)
Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50422795
(CHEMBL202585)Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(Cc3c2)C(=O)CC(O)=O)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C32H37N3O4/c1-22-19-35(23(2)18-34(22)20-24-7-4-3-5-8-24)32(26-9-6-10-29(36)16-26)27-12-11-25-13-14-33(21-28(25)15-27)30(37)17-31(38)39/h3-12,15-16,22-23,32,36H,13-14,17-21H2,1-2H3,(H,38,39)/t22-,23+,32+/m1/s1 | PDB
Reactome pathway
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.00100 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
Bioorg Med Chem Lett 16: 905-10 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50422811
(CHEMBL204716)Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(Cc3c2)C(=O)C(O)=O)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C31H35N3O4/c1-21-18-34(22(2)17-33(21)19-23-7-4-3-5-8-23)29(25-9-6-10-28(35)16-25)26-12-11-24-13-14-32(20-27(24)15-26)30(36)31(37)38/h3-12,15-16,21-22,29,35H,13-14,17-20H2,1-2H3,(H,37,38)/t21-,22+,29+/m1/s1 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
Bioorg Med Chem Lett 16: 905-10 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50422791
(CHEMBL204480)Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(CCC(O)=O)Cc3c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C32H39N3O3/c1-23-20-35(24(2)19-34(23)21-25-7-4-3-5-8-25)32(27-9-6-10-30(36)18-27)28-12-11-26-13-15-33(16-14-31(37)38)22-29(26)17-28/h3-12,17-18,23-24,32,36H,13-16,19-22H2,1-2H3,(H,37,38)/t23-,24+,32+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
Bioorg Med Chem Lett 16: 905-10 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50422809
(CHEMBL204136)Show SMILES C[C@@H]1CN([C@H](c2ccc(cc2)-c2ccccc2C(O)=O)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C33H34N2O3/c1-23-21-35(24(2)20-34(23)22-25-9-4-3-5-10-25)32(28-11-8-12-29(36)19-28)27-17-15-26(16-18-27)30-13-6-7-14-31(30)33(37)38/h3-19,23-24,32,36H,20-22H2,1-2H3,(H,37,38)/t23-,24+,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
Bioorg Med Chem Lett 16: 905-10 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50422804
(CHEMBL202578)Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2ccc3CCN(CC(O)=O)Cc3c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C31H37N3O3/c1-22-18-34(23(2)17-33(22)19-24-7-4-3-5-8-24)31(26-9-6-10-29(35)16-26)27-12-11-25-13-14-32(21-30(36)37)20-28(25)15-27/h3-12,15-16,22-23,31,35H,13-14,17-21H2,1-2H3,(H,36,37)/t22-,23+,31+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
Bioorg Med Chem Lett 16: 905-10 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50422803
(CHEMBL382024)Show SMILES C[C@@H]1CN([C@H](c2ccc(CCC(O)=O)cc2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C29H34N2O3/c1-21-19-31(22(2)18-30(21)20-24-7-4-3-5-8-24)29(26-9-6-10-27(32)17-26)25-14-11-23(12-15-25)13-16-28(33)34/h3-12,14-15,17,21-22,29,32H,13,16,18-20H2,1-2H3,(H,33,34)/t21-,22+,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.126 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
Bioorg Med Chem Lett 16: 905-10 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50422808
(CHEMBL380737)Show SMILES C[C@@H]1CN([C@H](c2ccc(CC(O)=O)cc2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C28H32N2O3/c1-20-18-30(21(2)17-29(20)19-23-7-4-3-5-8-23)28(25-9-6-10-26(31)16-25)24-13-11-22(12-14-24)15-27(32)33/h3-14,16,20-21,28,31H,15,17-19H2,1-2H3,(H,32,33)/t20-,21+,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.158 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
Bioorg Med Chem Lett 16: 905-10 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50422793
(CHEMBL203903)Show SMILES C[C@@H]1CN([C@H](c2ccc3CN(Cc3c2)C(=O)c2ccccc2C(O)=O)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C36H37N3O4/c1-24-20-39(25(2)19-37(24)21-26-9-4-3-5-10-26)34(27-11-8-12-31(40)18-27)28-15-16-29-22-38(23-30(29)17-28)35(41)32-13-6-7-14-33(32)36(42)43/h3-18,24-25,34,40H,19-23H2,1-2H3,(H,42,43)/t24-,25+,34+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
Bioorg Med Chem Lett 16: 905-10 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50422798
(CHEMBL201678)Show SMILES C[C@@H]1CN([C@H](c2ccc3CN(CC(O)=O)Cc3c2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C30H35N3O3/c1-21-16-33(22(2)15-32(21)17-23-7-4-3-5-8-23)30(24-9-6-10-28(34)14-24)25-11-12-26-18-31(20-29(35)36)19-27(26)13-25/h3-14,21-22,30,34H,15-20H2,1-2H3,(H,35,36)/t21-,22+,30+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
Bioorg Med Chem Lett 16: 905-10 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50039026
(4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl...)Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1 Show InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
Bioorg Med Chem Lett 16: 905-10 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50178367
((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23)/t12-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of serotonin re-uptake at human serotonin transporter expressed in HEK293 cells |
Bioorg Med Chem Lett 16: 1434-9 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.031
BindingDB Entry DOI: 10.7270/Q2F47NRD |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50422796
(CHEMBL201205)Show SMILES C[C@@H]1CN([C@H](c2ccc3CN(CCC(O)=O)Cc3c2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 Show InChI InChI=1S/C31H37N3O3/c1-22-18-34(23(2)17-33(22)19-24-7-4-3-5-8-24)31(25-9-6-10-29(35)16-25)26-11-12-27-20-32(14-13-30(36)37)21-28(27)15-26/h3-12,15-16,22-23,31,35H,13-14,17-21H2,1-2H3,(H,36,37)/t22-,23+,31+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens |
Bioorg Med Chem Lett 16: 905-10 (2006)
Article DOI: 10.1016/j.bmcl.2005.10.102
BindingDB Entry DOI: 10.7270/Q2930VG2 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50252172
(5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tet...)Show SMILES CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(N)(=O)=O Show InChI InChI=1S/C17H18Cl2N2O2S/c1-21-17-7-5-12(10-2-6-15(18)16(19)8-10)13-4-3-11(9-14(13)17)24(20,22)23/h2-4,6,8-9,12,17,21H,5,7H2,1H3,(H2,20,22,23) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4018-21 (2008)
Article DOI: 10.1016/j.bmcl.2008.06.001
BindingDB Entry DOI: 10.7270/Q2W37W4X |
More data for this
Ligand-Target Pair | |
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