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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 = 'BDBM50074196'   
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))
BDBM50074196
PNG
(5-[1,2,4]Triazol-4-yl-3-{3-[4-(4-trifluoromethyl-b...)
Show SMILES FC(F)(F)c1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C25H27F3N6/c26-25(27,28)21-5-3-19(4-6-21)16-33-12-10-32(11-13-33)9-1-2-20-15-29-24-8-7-22(14-23(20)24)34-17-30-31-18-34/h3-8,14-15,17-18,29H,1-2,9-13,16H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.20n/an/an/an/an/an/a



Merck, Sharp and Dohme Research Laboratories

Curated by ChEMBL


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


(Homo sapiens (Human))
BDBM50074196
PNG
(5-[1,2,4]Triazol-4-yl-3-{3-[4-(4-trifluoromethyl-b...)
Show SMILES FC(F)(F)c1ccc(CN2CCN(CCCc3c[nH]c4ccc(cc34)-n3cnnc3)CC2)cc1
Show InChI InChI=1S/C25H27F3N6/c26-25(27,28)21-5-3-19(4-6-21)16-33-12-10-32(11-13-33)9-1-2-20-15-29-24-8-7-22(14-23(20)24)34-17-30-31-18-34/h3-8,14-15,17-18,29H,1-2,9-13,16H2
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 11n/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: 691-705 (1999)


Article DOI: 10.1021/jm980569z
BindingDB Entry DOI: 10.7270/Q2ZG6RDW
More data for this
Ligand-Target Pair