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BDBM50194752 (+/-)-(4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)methylamine::CHEMBL212197

SMILES: COc1cc(Br)c(OC)c2CC(CN)c12

InChI Key: InChIKey=MPBCKKVERDTCEL-UHFFFAOYSA-N

Data: 2 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50194752   
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 (5-HT2A)


(Homo sapiens (human))
BDBM50194752
PNG
((+/-)-(4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)m...)
Show SMILES COc1cc(Br)c(OC)c2CC(CN)c12
Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3
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PC sid
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Similars

Article
PubMed
0.730n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[125I]DOI from human cloned 5HT2A receptor


J Med Chem 49: 5794-803 (2006)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50194752
PNG
((+/-)-(4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)m...)
Show SMILES COc1cc(Br)c(OC)c2CC(CN)c12
Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.75n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Displacement of (+/-)-[125I]DOI from rat cloned 5HT2A receptor


J Med Chem 49: 5794-803 (2006)

More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50194752
PNG
((+/-)-(4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)m...)
Show SMILES COc1cc(Br)c(OC)c2CC(CN)c12
Show InChI InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 36n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Activity at rat 5HT2A receptor expressed in NIH3T3 cells assessed as stimulation of phospholipase C-mediated IP production


J Med Chem 49: 5794-803 (2006)

More data for this
Ligand-Target Pair