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BDBM50134680 CHEMBL3747148

SMILES: CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cccc(F)c1

InChI Key: InChIKey=BLDRZOKSSGFKEP-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50134680   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50134680
PNG
(CHEMBL3747148)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C26H35FN2O3S/c1-20(2)25-8-3-4-9-26(25)32-17-16-28-14-12-23(13-15-28)29(19-21-10-11-21)33(30,31)24-7-5-6-22(27)18-24/h3-9,18,20-21,23H,10-17,19H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from human dopamine D2L receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50134680
PNG
(CHEMBL3747148)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C26H35FN2O3S/c1-20(2)25-8-3-4-9-26(25)32-17-16-28-14-12-23(13-15-28)29(19-21-10-11-21)33(30,31)24-7-5-6-22(27)18-24/h3-9,18,20-21,23H,10-17,19H2,1-2H3
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56n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50134680
PNG
(CHEMBL3747148)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C26H35FN2O3S/c1-20(2)25-8-3-4-9-26(25)32-17-16-28-14-12-23(13-15-28)29(19-21-10-11-21)33(30,31)24-7-5-6-22(27)18-24/h3-9,18,20-21,23H,10-17,19H2,1-2H3
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158n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50134680
PNG
(CHEMBL3747148)
Show SMILES CC(C)c1ccccc1OCCN1CCC(CC1)N(CC1CC1)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C26H35FN2O3S/c1-20(2)25-8-3-4-9-26(25)32-17-16-28-14-12-23(13-15-28)29(19-21-10-11-21)33(30,31)24-7-5-6-22(27)18-24/h3-9,18,20-21,23H,10-17,19H2,1-2H3
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429n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor expressed in HEK293 cells incubated for 1 hr


Bioorg Med Chem 24: 130-9 (2016)


Article DOI: 10.1016/j.bmc.2015.11.041
BindingDB Entry DOI: 10.7270/Q2W95C1P
More data for this
Ligand-Target Pair