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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 = 'BDBM50074151'   
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))
BDBM50074151
PNG
(Benzyl-{(R)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](CNCc2ccccc2)C1
Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m1/s1
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Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


J Med Chem 42: 677-90 (1999)


Article DOI: 10.1021/jm9805687
BindingDB Entry DOI: 10.7270/Q23777W5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50074151
PNG
(Benzyl-{(R)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3...)
Show SMILES C(Cc1c[nH]c2ccc(cc12)-n1cnnc1)N1CC[C@H](CNCc2ccccc2)C1
Show InChI InChI=1S/C24H28N6/c1-2-4-19(5-3-1)13-25-14-20-8-10-29(16-20)11-9-21-15-26-24-7-6-22(12-23(21)24)30-17-27-28-18-30/h1-7,12,15,17-18,20,25-26H,8-11,13-14,16H2/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/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