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BDBM50179080 (4R,9aR)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene::CHEMBL203230

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

InChI Key: InChIKey=PKOPGQYFQBKBPB-VXNVDRBHSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50179080   
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))
BDBM50179080
PNG
((4R,9aR)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12
Show InChI InChI=1S/C11H14ClN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.60n/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))
BDBM50179080
PNG
((4R,9aR)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12
Show InChI InChI=1S/C11H14ClN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1
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PC cid
PC sid
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Article
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42n/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))
BDBM50179080
PNG
((4R,9aR)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12
Show InChI InChI=1S/C11H14ClN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1
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48n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50179080
PNG
((4R,9aR)-6-chloro-4-methyl-1,2,3,4,9,9a-hexahydro-...)
Show SMILES C[C@@H]1CNC[C@H]2Cc3ccc(Cl)nc3N12
Show InChI InChI=1S/C11H14ClN3/c1-7-5-13-6-9-4-8-2-3-10(12)14-11(8)15(7)9/h2-3,7,9,13H,4-6H2,1H3/t7-,9-/m1/s1
PDB
MMDB

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n/an/a 4.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of hERG potassium channel expressed in CHO cells by whole cell patch clamp method


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