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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 = 'BDBM50083113'   
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))
BDBM50083113
PNG
(CHEMBL147660 | N-{4-[(Methyl-{1-[3-(5-[1,2,4]triaz...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C29H37N7O/c1-22(37)33-26-7-5-23(6-8-26)18-34(2)19-24-11-14-35(15-12-24)13-3-4-25-17-30-29-10-9-27(16-28(25)29)36-20-31-32-21-36/h5-10,16-17,20-21,24,30H,3-4,11-15,18-19H2,1-2H3,(H,33,37)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.600n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 4981-5001 (2000)


BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083113
PNG
(CHEMBL147660 | N-{4-[(Methyl-{1-[3-(5-[1,2,4]triaz...)
Show SMILES CN(CC1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)Cc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C29H37N7O/c1-22(37)33-26-7-5-23(6-8-26)18-34(2)19-24-11-14-35(15-12-24)13-3-4-25-17-30-29-10-9-27(16-28(25)29)36-20-31-32-21-36/h5-10,16-17,20-21,24,30H,3-4,11-15,18-19H2,1-2H3,(H,33,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/an/an/a 2.80n/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Agonist-induced [35S]- GTPgammaS binding in CHO cells stably transfected with 5-hydroxytryptamine 1D receptor


J Med Chem 42: 4981-5001 (2000)


BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair