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BDBM50403683 CHEMBL333174

SMILES: Fc1ccc2c(noc2c1)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1

InChI Key: InChIKey=SPBXLWNNWOLJEO-UHFFFAOYSA-N

Data: 2 KI  2 Kd

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

Found 4 hits for monomerid = 50403683   
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


(Rattus norvegicus (rat))
BDBM50403683
PNG
(CHEMBL333174)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H24FN3O2/c26-17-5-6-19-23(13-17)31-28-25(19)16-7-9-29(10-8-16)14-15-11-21-24(22(30)12-15)18-3-1-2-4-20(18)27-21/h1-6,13,15-16,27H,7-12,14H2
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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.60n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]ketanserin binding to rat frontal cortex membrane (5-HT2A receptor)


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50403683
PNG
(CHEMBL333174)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H24FN3O2/c26-17-5-6-19-23(13-17)31-28-25(19)16-7-9-29(10-8-16)14-15-11-21-24(22(30)12-15)18-3-1-2-4-20(18)27-21/h1-6,13,15-16,27H,7-12,14H2
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141n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of [3H]spiperone binding to striatal membrane Dopamine receptor D2


Bioorg Med Chem Lett 8: 3571-6 (1999)


BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))
BDBM50403683
PNG
(CHEMBL333174)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H24FN3O2/c26-17-5-6-19-23(13-17)31-28-25(19)16-7-9-29(10-8-16)14-15-11-21-24(22(30)12-15)18-3-1-2-4-20(18)27-21/h1-6,13,15-16,27H,7-12,14H2
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n/an/an/a 0.316n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta


J Med Chem 45: 54-71 (2001)


BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50403683
PNG
(CHEMBL333174)
Show SMILES Fc1ccc2c(noc2c1)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H24FN3O2/c26-17-5-6-19-23(13-17)31-28-25(19)16-7-9-29(10-8-16)14-15-11-21-24(22(30)12-15)18-3-1-2-4-20(18)27-21/h1-6,13,15-16,27H,7-12,14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/an/a 447n/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus


J Med Chem 45: 54-71 (2001)


BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair