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BDBM50306839 CHEMBL601885::N-(Cyclohexylmethyl)-N-[3-(4-(2-methoxyphenyl)-piperazin-1-yl)-propyl]quinoline-8-sulfonamide

SMILES: COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1

InChI Key: InChIKey=AGDOTHDBWYNHAX-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50306839   
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 2C (5-HT2C)


(Homo sapiens (human))
BDBM50306839
PNG
(CHEMBL601885 | N-(Cyclohexylmethyl)-N-[3-(4-(2-met...)
Show SMILES COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C30H40N4O3S/c1-37-28-15-6-5-14-27(28)33-22-20-32(21-23-33)18-9-19-34(24-25-10-3-2-4-11-25)38(35,36)29-16-7-12-26-13-8-17-31-30(26)29/h5-8,12-17,25H,2-4,9-11,18-24H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 118n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50306839
PNG
(CHEMBL601885 | N-(Cyclohexylmethyl)-N-[3-(4-(2-met...)
Show SMILES COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C30H40N4O3S/c1-37-28-15-6-5-14-27(28)33-22-20-32(21-23-33)18-9-19-34(24-25-10-3-2-4-11-25)38(35,36)29-16-7-12-26-13-8-17-31-30(26)29/h5-8,12-17,25H,2-4,9-11,18-24H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 59.9n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in avCHO-K1 cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50306839
PNG
(CHEMBL601885 | N-(Cyclohexylmethyl)-N-[3-(4-(2-met...)
Show SMILES COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C30H40N4O3S/c1-37-28-15-6-5-14-27(28)33-22-20-32(21-23-33)18-9-19-34(24-25-10-3-2-4-11-25)38(35,36)29-16-7-12-26-13-8-17-31-30(26)29/h5-8,12-17,25H,2-4,9-11,18-24H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells


Bioorg Med Chem 18: 1665-75 (2010)


Article DOI: 10.1016/j.bmc.2009.12.067
BindingDB Entry DOI: 10.7270/Q2R78F99
More data for this
Ligand-Target Pair