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BDBM50223743 CHEMBL421801

SMILES: COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1

InChI Key: InChIKey=OTRBXADIASNSBW-UHFFFAOYSA-N

Data: 9 KI

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 9 hits for monomerid = 50223743   
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


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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1.5n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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26n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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46n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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437n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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457n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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501n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards dopamine receptor D2


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
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513n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
Reactome pathway
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PubMed
832n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50223743
PNG
(CHEMBL421801)
Show SMILES COc1ccc2C(=O)CC(CN3CCC(CC3)c3noc4cc(F)ccc34)Cc2c1
Show InChI InChI=1S/C24H25FN2O3/c1-29-19-3-5-20-17(12-19)10-15(11-22(20)28)14-27-8-6-16(7-9-27)24-21-4-2-18(25)13-23(21)30-26-24/h2-5,12-13,15-16H,6-11,14H2,1H3
Reactome pathway
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PubMed
1.62E+3n/an/an/an/an/an/an/an/a



Universidad de Santiago de Compostela

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2C receptor


Bioorg Med Chem Lett 14: 585-9 (2004)


BindingDB Entry DOI: 10.7270/Q2VT1V9D
More data for this
Ligand-Target Pair