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SMILES: Cc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Br

InChI Key: InChIKey=LOLNBESEFOMRHG-UHFFFAOYSA-N

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 = 50321868   
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))
BDBM50321868
PNG
(6-Bromo-5-methyl-2,3-dihydro-indole-1-carboxylic a...)
Show SMILES Cc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Br
Show InChI InChI=1S/C15H14BrN3O/c1-10-7-11-4-6-19(14(11)8-13(10)16)15(20)18-12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3,(H,18,20)
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Article
PubMed
4n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Bioorg Med Chem 18: 4783-92 (2011)


Article DOI: 10.1016/j.bmc.2010.05.017
BindingDB Entry DOI: 10.7270/Q2V69KJ2
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50321868
PNG
(6-Bromo-5-methyl-2,3-dihydro-indole-1-carboxylic a...)
Show SMILES Cc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Br
Show InChI InChI=1S/C15H14BrN3O/c1-10-7-11-4-6-19(14(11)8-13(10)16)15(20)18-12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3,(H,18,20)
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Article
PubMed
4n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells using [3H]mesulergine as radioligand


J Med Chem 41: 1598-612 (1998)


Article DOI: 10.1021/jm970741j
BindingDB Entry DOI: 10.7270/Q2WM1H48
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50321868
PNG
(6-Bromo-5-methyl-2,3-dihydro-indole-1-carboxylic a...)
Show SMILES Cc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Br
Show InChI InChI=1S/C15H14BrN3O/c1-10-7-11-4-6-19(14(11)8-13(10)16)15(20)18-12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3,(H,18,20)
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Article
PubMed
63n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 2A receptor expressed in HEK 293 cells using [3H]ketanserin as radioligand


J Med Chem 41: 1598-612 (1998)


Article DOI: 10.1021/jm970741j
BindingDB Entry DOI: 10.7270/Q2WM1H48
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50321868
PNG
(6-Bromo-5-methyl-2,3-dihydro-indole-1-carboxylic a...)
Show SMILES Cc1cc2CCN(C(=O)Nc3cccnc3)c2cc1Br
Show InChI InChI=1S/C15H14BrN3O/c1-10-7-11-4-6-19(14(11)8-13(10)16)15(20)18-12-3-2-5-17-9-12/h2-3,5,7-9H,4,6H2,1H3,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC sid
UniChem

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Article
PubMed
63n/an/an/an/an/an/an/an/a



University of North Texas Health Science Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting


Bioorg Med Chem 18: 4783-92 (2011)


Article DOI: 10.1016/j.bmc.2010.05.017
BindingDB Entry DOI: 10.7270/Q2V69KJ2
More data for this
Ligand-Target Pair