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SMILES: O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C1CCCCC1

InChI Key: InChIKey=BARRGRIMEJNOGZ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50139521   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50139521
PNG
(CHEMBL162771 | Cyclohexanecarboxylic acid {4-[3-(2...)
Show SMILES O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C1CCCCC1 |c:6|
Show InChI InChI=1S/C26H36N4O/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h8-9,11,18-19,21,27H,1-7,10,12-17H2,(H,28,31)
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PC cid
PC sid
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Similars

PubMed
29n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1D receptor


Bioorg Med Chem Lett 14: 727-9 (2004)


BindingDB Entry DOI: 10.7270/Q2M32V5K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50139521
PNG
(CHEMBL162771 | Cyclohexanecarboxylic acid {4-[3-(2...)
Show SMILES O=C(NN1CCC(=CC1)c1ccc2[nH]cc(CCN3CCCC3)c2c1)C1CCCCC1 |c:6|
Show InChI InChI=1S/C26H36N4O/c31-26(21-6-2-1-3-7-21)28-30-16-11-20(12-17-30)22-8-9-25-24(18-22)23(19-27-25)10-15-29-13-4-5-14-29/h8-9,11,18-19,21,27H,1-7,10,12-17H2,(H,28,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
130n/an/an/an/an/an/an/an/a



NPS Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity of the compound was evaluated at the cloned human 5-hydroxytryptamine 1B receptor


Bioorg Med Chem Lett 14: 727-9 (2004)


BindingDB Entry DOI: 10.7270/Q2M32V5K
More data for this
Ligand-Target Pair