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BDBM50403684 CHEMBL120903

SMILES: Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1

InChI Key: InChIKey=OZMFVKDFRHXPOM-UHFFFAOYSA-N

Data: 2 KI  2 Kd

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 4 hits for monomerid = 50403684   
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
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50403684
PNG
(CHEMBL120903)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H25FN2O2/c26-19-7-5-17(6-8-19)25(30)18-9-11-28(12-10-18)15-16-13-22-24(23(29)14-16)20-3-1-2-4-21(20)27-22/h1-8,16,18,27H,9-15H2
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PC sid
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Article
PubMed
9.10n/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)


Article DOI: 10.1016/s0960-894x(98)00639-8
BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)


(Rattus norvegicus (rat))
BDBM50403684
PNG
(CHEMBL120903)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H25FN2O2/c26-19-7-5-17(6-8-19)25(30)18-9-11-28(12-10-18)15-16-13-22-24(23(29)14-16)20-3-1-2-4-21(20)27-22/h1-8,16,18,27H,9-15H2
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PubMed
562n/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)


Article DOI: 10.1016/s0960-894x(98)00639-8
BindingDB Entry DOI: 10.7270/Q26H4JKD
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
BDBM50403684
PNG
(CHEMBL120903)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H25FN2O2/c26-19-7-5-17(6-8-19)25(30)18-9-11-28(12-10-18)15-16-13-22-24(23(29)14-16)20-3-1-2-4-21(20)27-22/h1-8,16,18,27H,9-15H2
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Article
PubMed
n/an/an/a 60.3n/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)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50403684
PNG
(CHEMBL120903)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC2Cc3[nH]c4ccccc4c3C(=O)C2)CC1
Show InChI InChI=1S/C25H25FN2O2/c26-19-7-5-17(6-8-19)25(30)18-9-11-28(12-10-18)15-16-13-22-24(23(29)14-16)20-3-1-2-4-21(20)27-22/h1-8,16,18,27H,9-15H2
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Article
PubMed
n/an/an/a 0.631n/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)


Article DOI: 10.1021/jm011014y
BindingDB Entry DOI: 10.7270/Q2KD204K
More data for this
Ligand-Target Pair