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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 = 'BDBM50069315'   
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))
BDBM50069315
PNG
(C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-[4-(...)
Show SMILES CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12
Show InChI InChI=1S/C36H48N6O4S2/c1-39(2)17-15-31-21-37-35-13-11-29(19-33(31)35)25-47(43,44)41(5)23-27-7-9-28(10-8-27)24-42(6)48(45,46)26-30-12-14-36-34(20-30)32(22-38-36)16-18-40(3)4/h7-14,19-22,37-38H,15-18,23-26H2,1-6H3
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PC cid
PC sid
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Article
PubMed
0.890n/an/an/an/an/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting


J Med Chem 51: 3609-16 (2008)


Article DOI: 10.1021/jm7011722
BindingDB Entry DOI: 10.7270/Q26T0MDK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50069315
PNG
(C-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-[4-(...)
Show SMILES CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N(C)Cc3ccc(CN(C)S(=O)(=O)Cc4ccc5[nH]cc(CCN(C)C)c5c4)cc3)cc12
Show InChI InChI=1S/C36H48N6O4S2/c1-39(2)17-15-31-21-37-35-13-11-29(19-33(31)35)25-47(43,44)41(5)23-27-7-9-28(10-8-27)24-42(6)48(45,46)26-30-12-14-36-34(20-30)32(22-38-36)16-18-40(3)4/h7-14,19-22,37-38H,15-18,23-26H2,1-6H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.890n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro binding affinity was determined towards cloned human 5-hydroxytryptamine 1D receptor using [3H]-5-CT radioligand


Bioorg Med Chem Lett 8: 675-80 (1999)


BindingDB Entry DOI: 10.7270/Q24B30F8
More data for this
Ligand-Target Pair