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BDBM50130081 1,2,8,9,10,11-Hexahydro-7H-3-oxa-9,11b-diaza-cyclohepta[a]acenaphthylene::CHEMBL76494::PHA-57378

SMILES: C1Cn2c3CCNCCc3c3cccc(O1)c23

InChI Key: InChIKey=KMVAXNRPZRSLSY-UHFFFAOYSA-N

Data: 2 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50130081   
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 2A


(Homo sapiens (Human))
BDBM50130081
PNG
(1,2,8,9,10,11-Hexahydro-7H-3-oxa-9,11b-diaza-cyclo...)
Show SMILES C1Cn2c3CCNCCc3c3cccc(O1)c23
Show InChI InChI=1S/C14H16N2O/c1-2-11-10-4-6-15-7-5-12(10)16-8-9-17-13(3-1)14(11)16/h1-3,15H,4-9H2
MMDB

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PC cid
PC sid
UniChem

Patents

Article
PubMed
4.10n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50130081
PNG
(1,2,8,9,10,11-Hexahydro-7H-3-oxa-9,11b-diaza-cyclo...)
Show SMILES C1Cn2c3CCNCCc3c3cccc(O1)c23
Show InChI InChI=1S/C14H16N2O/c1-2-11-10-4-6-15-7-5-12(10)16-8-9-17-13(3-1)14(11)16/h1-3,15H,4-9H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Pharmacia Corporation

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]-DOI radioligand.


Bioorg Med Chem Lett 13: 2369-72 (2003)


Article DOI: 10.1016/s0960-894x(03)00403-7
BindingDB Entry DOI: 10.7270/Q2B857GJ
More data for this
Ligand-Target Pair