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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 = 'BDBM50136469'   
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))
BDBM50136469
PNG
(4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCSCC1
Show InChI InChI=1S/C17H24N2OS/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3
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PC sid
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PubMed
2n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor expressed in Chinese hamster ovary cells (CHO cells)


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50136469
PNG
(4-[1-(2-Dimethylamino-ethyl)-1H-indol-6-yl]-tetrah...)
Show SMILES CN(C)CCn1ccc2ccc(cc12)C1(O)CCSCC1
Show InChI InChI=1S/C17H24N2OS/c1-18(2)9-10-19-8-5-14-3-4-15(13-16(14)19)17(20)6-11-21-12-7-17/h3-5,8,13,20H,6-7,9-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/an/an/a 0.300n/an/an/an/a



NPS Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Ability to inhibit foskolin-stimulated adenylate cyclase activity in Chinese hamster ovary (CHO) stable cell lines expressing human 5-hydroxytryptami...


Bioorg Med Chem Lett 13: 4409-13 (2003)


BindingDB Entry DOI: 10.7270/Q2HT2NR1
More data for this
Ligand-Target Pair