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1 similar compounds to monomer 50083131

Compile data set for download or QSAR
Wt: 457.5
BDBM50083122

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50083122   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50083122
PNG
(1-Methyl-3-phenyl-1-{1-[3-(5-[1,2,4]triazol-4-yl-1...)
Show SMILES CN(C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H31N7O/c1-31(26(34)30-21-7-3-2-4-8-21)22-11-14-32(15-12-22)13-5-6-20-17-27-25-10-9-23(16-24(20)25)33-18-28-29-19-33/h2-4,7-10,16-19,22,27H,5-6,11-15H2,1H3,(H,30,34)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 4981-5001 (2000)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50083122
PNG
(1-Methyl-3-phenyl-1-{1-[3-(5-[1,2,4]triazol-4-yl-1...)
Show SMILES CN(C1CCN(CCCc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C26H31N7O/c1-31(26(34)30-21-7-3-2-4-8-21)22-11-14-32(15-12-22)13-5-6-20-17-27-25-10-9-23(16-24(20)25)33-18-28-29-19-33/h2-4,7-10,16-19,22,27H,5-6,11-15H2,1H3,(H,30,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/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)


Article DOI: 10.1021/jm9910021
BindingDB Entry DOI: 10.7270/Q20P0Z77
More data for this
Ligand-Target Pair