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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 = 'BDBM50074204'   
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))
BDBM50074204
PNG
(3-{3-[4-(1H-Imidazol-2-ylmethyl)-piperazin-1-yl]-p...)
Show SMILES C(CN1CCN(Cc2ncc[nH]2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C21H26N8/c1(7-27-8-10-28(11-9-27)14-21-22-5-6-23-21)2-17-13-24-20-4-3-18(12-19(17)20)29-15-25-26-16-29/h3-6,12-13,15-16,24H,1-2,7-11,14H2,(H,22,23)
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Article
PubMed
n/an/a 1.60n/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))
BDBM50074204
PNG
(3-{3-[4-(1H-Imidazol-2-ylmethyl)-piperazin-1-yl]-p...)
Show SMILES C(CN1CCN(Cc2ncc[nH]2)CC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C21H26N8/c1(7-27-8-10-28(11-9-27)14-21-22-5-6-23-21)2-17-13-24-20-4-3-18(12-19(17)20)29-15-25-26-16-29/h3-6,12-13,15-16,24H,1-2,7-11,14H2,(H,22,23)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 2n/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