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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1D' and Ligand = 'BDBM50074193'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074193
PNG
(3-{3-[4-(2-Pyridin-3-yl-ethyl)-piperazin-1-yl]-pro...)
Show SMILES C(CN1CCN(CCc2cccnc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H29N7/c1-3-20(16-25-8-1)7-10-30-13-11-29(12-14-30)9-2-4-21-17-26-24-6-5-22(15-23(21)24)31-18-27-28-19-31/h1,3,5-6,8,15-19,26H,2,4,7,9-14H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4.90n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding to the cloned human 5-hydroxytryptamine 1D receptor stably expressed in CHO cells


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50074193
PNG
(3-{3-[4-(2-Pyridin-3-yl-ethyl)-piperazin-1-yl]-pro...)
Show SMILES C(CN1CCN(CCc2cccnc2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C24H29N7/c1-3-20(16-25-8-1)7-10-30-13-11-29(12-14-30)9-2-4-21-17-26-24-6-5-22(15-23(21)24)31-18-27-28-19-31/h1,3,5-6,8,15-19,26H,2,4,7,9-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.80n/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Stimulation of [35S]-GTP-gammaS, binding in CHO cells expressing the human 5-hydroxytryptamine 1D receptor.


J Med Chem 42: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair