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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 1B' and Ligand = 'BDBM50060431'   
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 1B


(Homo sapiens (Human))
BDBM50060431
PNG
(3-(3-Piperidin-1-yl-propyl)-5-[1,2,4]triazol-4-yl-...)
Show SMILES C(CN1CCCCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C18H23N5/c1-2-8-22(9-3-1)10-4-5-15-12-19-18-7-6-16(11-17(15)18)23-13-20-21-14-23/h6-7,11-14,19H,1-5,8-10H2
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT binding from cloned human 5-hydroxytryptamine 1B 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 1B


(Homo sapiens (Human))
BDBM50060431
PNG
(3-(3-Piperidin-1-yl-propyl)-5-[1,2,4]triazol-4-yl-...)
Show SMILES C(CN1CCCCC1)Cc1c[nH]c2ccc(cc12)-n1cnnc1
Show InChI InChI=1S/C18H23N5/c1-2-8-22(9-3-1)10-4-5-15-12-19-18-7-6-16(11-17(15)18)23-13-20-21-14-23/h6-7,11-14,19H,1-5,8-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5-hydroxytryptamine 1B receptor in CHO cells by [3H]-5-HT binding displacement.


J Med Chem 40: 3497-500 (1997)


Article DOI: 10.1021/jm9704558
BindingDB Entry DOI: 10.7270/Q2JQ103J
More data for this
Ligand-Target Pair