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BDBM50403521 CHEMBL89448

SMILES: C(CNCC1COc2ccccc2O1)CNC1=NCCCN1

InChI Key: InChIKey=ACOPJGUABVTKCV-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50403521   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50403521
PNG
(CHEMBL89448)
Show SMILES C(CNCC1COc2ccccc2O1)CNC1=NCCCN1
Show InChI InChI=1S/C16H24N4O2/c1-2-6-15-14(5-1)21-12-13(22-15)11-17-7-3-8-18-16-19-9-4-10-20-16/h1-2,5-6,13,17H,3-4,7-12H2,(H2,18,19,20)
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UniProtKB/TrEMBL

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1A receptor from cloned human expressed in Ha7 cells


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50403521
PNG
(CHEMBL89448)
Show SMILES C(CNCC1COc2ccccc2O1)CNC1=NCCCN1
Show InChI InChI=1S/C16H24N4O2/c1-2-6-15-14(5-1)21-12-13(22-15)11-17-7-3-8-18-16-19-9-4-10-20-16/h1-2,5-6,13,17H,3-4,7-12H2,(H2,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 25n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to 5-hydroxytryptamine 1D receptor of calf substantia nigra


Bioorg Med Chem Lett 5: 2649-2654 (1995)


Article DOI: 10.1016/0960-894X(95)00473-7
BindingDB Entry DOI: 10.7270/Q20Z74GV
More data for this
Ligand-Target Pair