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BDBM50131665 C-(8-Bromo-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-5-yl)-methylamine::CHEMBL116940

InChI string: InChI=1S/C13H14BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,6-7H,2-3,5,15H2,1H3/t7-/m0/s1

SMILES: COc1cc(Br)c2occ3CC[C@@H](CN)c1c23

InChI Key: InChIKey=MCSPMJGZGOTGPU-ZETCQYMHSA-N

Data: 3 KI  1 EC50

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 = 50131665   
Target
(Institution)
LigandTarget
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
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50131665
PNG
(C-(8-Bromo-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc...)
Show SMILES COc1cc(Br)c2occ3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H14BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,6-7H,2-3,5,15H2,1H3/t7-/m0/s1
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro binding to 5-hydroxytryptamine 2C receptor using [125 I]-DOI


J Med Chem 46: 3526-35 (2003)

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


(Rattus norvegicus (rat))
BDBM50131665
PNG
(C-(8-Bromo-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc...)
Show SMILES COc1cc(Br)c2occ3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H14BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,6-7H,2-3,5,15H2,1H3/t7-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
In vitro binding to 5-hydroxytryptamine 2A receptor using [125 I]-DOI


J Med Chem 46: 3526-35 (2003)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50131665
PNG
(C-(8-Bromo-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc...)
Show SMILES COc1cc(Br)c2occ3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H14BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,6-7H,2-3,5,15H2,1H3/t7-/m0/s1
Reactome pathway
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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
105n/an/an/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested in vitro for its ability to bind to 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


J Med Chem 46: 3526-35 (2003)

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


(Rattus norvegicus (rat))
BDBM50131665
PNG
(C-(8-Bromo-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc...)
Show SMILES COc1cc(Br)c2occ3CC[C@@H](CN)c1c23
Show InChI InChI=1S/C13H14BrNO2/c1-16-10-4-9(14)13-12-8(6-17-13)3-2-7(5-15)11(10)12/h4,6-7H,2-3,5,15H2,1H3/t7-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 120n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Tested for its ability to activate phospholipase C by quantification of IP3 at cloned rat 5-hydroxytryptamine 2A receptor


J Med Chem 46: 3526-35 (2003)

More data for this
Ligand-Target Pair