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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 = 'BDBM50054764'   
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))
BDBM50054764
PNG
((E)-3-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-...)
Show SMILES COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+
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CHEMBL
MCE
PC cid
PC sid
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Article
PubMed
0.300n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity against cloned human 5-hydroxytryptamine 1D receptor alpha expressed in CHO-K1 cells.


J Med Chem 39: 4717-26 (1997)


Article DOI: 10.1021/jm9604890
BindingDB Entry DOI: 10.7270/Q2R210GS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50054764
PNG
((E)-3-[3-(2-Dimethylamino-ethyl)-1H-indol-5-yl]-N-...)
Show SMILES COc1ccc(CNC(=O)\C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-26(2)13-12-19-16-24-22-10-6-17(14-21(19)22)7-11-23(27)25-15-18-4-8-20(28-3)9-5-18/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,27)/b11-7+
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
104n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Compound was tested for intrinsic efficacy against human 5-hydroxytryptamine 1D receptor beta measured as the reduction of forskolin-stimulated cAMP.


J Med Chem 39: 4717-26 (1997)


Article DOI: 10.1021/jm9604890
BindingDB Entry DOI: 10.7270/Q2R210GS
More data for this
Ligand-Target Pair