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BDBM50375919 CHEMBL406221

SMILES: CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1

InChI Key: InChIKey=DBJFBHNMHQIBDU-UHFFFAOYSA-N

Data: 6 IC50

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 6 hits for monomerid = 50375919   
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 7 (5-HT7)


(Homo sapiens (human))
BDBM50375919
PNG
(CHEMBL406221)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-15-10-23(33)21-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 16n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor


Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50375919
PNG
(CHEMBL406221)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-15-10-23(33)21-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2A receptor


Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50375919
PNG
(CHEMBL406221)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-15-10-23(33)21-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 16n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50375919
PNG
(CHEMBL406221)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-15-10-23(33)21-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 120n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity at 5HT1A receptor


Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50375919
PNG
(CHEMBL406221)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-15-10-23(33)21-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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n/an/a 140n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity at dopamine D2 receptor


Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50375919
PNG
(CHEMBL406221)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-8-5-4-7-28(29)37-19-17-36(18-20-37)16-6-9-31(39)34-22-30-35-27-15-10-23(33)21-26(27)32(40)38(30)24-11-13-25(41-2)14-12-24/h4-5,7-8,10-15,21H,3,6,9,16-20,22H2,1-2H3,(H,34,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity at 5HT2C receptor


Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair