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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 = 'BDBM50074149'   
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))
BDBM50074149
PNG
(CHEMBL348864 | Methyl-((S)-1-phenyl-ethyl)-{(R)-1-...)
Show SMILES C[C@H](N(C)C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1
Show InChI InChI=1S/C27H34N6/c1-21(24-6-4-3-5-7-24)31(2)16-23-10-12-32(17-23)13-11-25-15-29-27-9-8-22(14-26(25)27)18-33-20-28-19-30-33/h3-9,14-15,19-21,23,29H,10-13,16-18H2,1-2H3/t21-,23-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.700n/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 1D 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 1D


(Homo sapiens (Human))
BDBM50074149
PNG
(CHEMBL348864 | Methyl-((S)-1-phenyl-ethyl)-{(R)-1-...)
Show SMILES C[C@H](N(C)C[C@@H]1CCN(CCc2c[nH]c3ccc(Cn4cncn4)cc23)C1)c1ccccc1
Show InChI InChI=1S/C27H34N6/c1-21(24-6-4-3-5-7-24)31(2)16-23-10-12-32(17-23)13-11-25-15-29-27-9-8-22(14-26(25)27)18-33-20-28-19-30-33/h3-9,14-15,19-21,23,29H,10-13,16-18H2,1-2H3/t21-,23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.5n/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 5-hydroxytryptamine 1D receptor


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