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BDBM50179078 (4R,9aR)-6-methoxymethyl-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene::CHEMBL383051

SMILES: COCc1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1

InChI Key: InChIKey=AUVNCNYPOJVIRZ-BXKDBHETSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50179078   
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 2C


(Homo sapiens (Human))
BDBM50179078
PNG
((4R,9aR)-6-methoxymethyl-4-methyl-1,2,3,4,9,9a-hex...)
Show SMILES COCc1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
Show InChI InChI=1S/C13H19N3O/c1-9-6-14-7-12-5-10-3-4-11(8-17-2)15-13(10)16(9)12/h3-4,9,12,14H,5-8H2,1-2H3/t9-,12-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
16n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2C receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50179078
PNG
((4R,9aR)-6-methoxymethyl-4-methyl-1,2,3,4,9,9a-hex...)
Show SMILES COCc1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
Show InChI InChI=1S/C13H19N3O/c1-9-6-14-7-12-5-10-3-4-11(8-17-2)15-13(10)16(9)12/h3-4,9,12,14H,5-8H2,1-2H3/t9-,12-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
379n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-5HT from human recombinant 5HT2B receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50179078
PNG
((4R,9aR)-6-methoxymethyl-4-methyl-1,2,3,4,9,9a-hex...)
Show SMILES COCc1ccc2C[C@@H]3CNC[C@@H](C)N3c2n1
Show InChI InChI=1S/C13H19N3O/c1-9-6-14-7-12-5-10-3-4-11(8-17-2)15-13(10)16(9)12/h3-4,9,12,14H,5-8H2,1-2H3/t9-,12-/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
565n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in CHO cells


Bioorg Med Chem Lett 16: 1207-11 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.083
BindingDB Entry DOI: 10.7270/Q21R6Q3T
More data for this
Ligand-Target Pair