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BDBM50179082 ((4R,9aR)-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluoren-6-yl)-methanol::CHEMBL206386

SMILES: C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12

InChI Key: InChIKey=UKUYYAKTAQAUQY-LDYMZIIASA-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 = 50179082   
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))
BDBM50179082
PNG
(((4R,9aR)-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-t...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12
Show InChI InChI=1S/C12H17N3O/c1-8-5-13-6-11-4-9-2-3-10(7-16)14-12(9)15(8)11/h2-3,8,11,13,16H,4-7H2,1H3/t8-,11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
54n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50179082
PNG
(((4R,9aR)-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-t...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12
Show InChI InChI=1S/C12H17N3O/c1-8-5-13-6-11-4-9-2-3-10(7-16)14-12(9)15(8)11/h2-3,8,11,13,16H,4-7H2,1H3/t8-,11-/m1/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
942n/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
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50179082
PNG
(((4R,9aR)-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-t...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(CO)nc3N12
Show InChI InChI=1S/C12H17N3O/c1-8-5-13-6-11-4-9-2-3-10(7-16)14-12(9)15(8)11/h2-3,8,11,13,16H,4-7H2,1H3/t8-,11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.14E+3n/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