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BDBM50306849 CHEMBL601855::N-(Cyclopropylmethyl)-4-methoxy-N-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propyl)benzenesulfonamide

SMILES: COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1

InChI Key: InChIKey=WUCMKNBEIOKYLN-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50306849   
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


(Homo sapiens (Human))
BDBM50306849
PNG
(CHEMBL601855 | N-(Cyclopropylmethyl)-4-methoxy-N-(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1
Show InChI InChI=1S/C25H32F3N3O3S/c1-34-23-8-10-24(11-9-23)35(32,33)31(19-20-6-7-20)13-3-12-29-14-16-30(17-15-29)22-5-2-4-21(18-22)25(26,27)28/h2,4-5,8-11,18,20H,3,6-7,12-17,19H2,1H3
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Article
PubMed
n/an/a 1.03E+3n/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))
BDBM50306849
PNG
(CHEMBL601855 | N-(Cyclopropylmethyl)-4-methoxy-N-(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1
Show InChI InChI=1S/C25H32F3N3O3S/c1-34-23-8-10-24(11-9-23)35(32,33)31(19-20-6-7-20)13-3-12-29-14-16-30(17-15-29)22-5-2-4-21(18-22)25(26,27)28/h2,4-5,8-11,18,20H,3,6-7,12-17,19H2,1H3
PDB
MMDB

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Article
PubMed
n/an/a 726n/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


(Homo sapiens (Human))
BDBM50306849
PNG
(CHEMBL601855 | N-(Cyclopropylmethyl)-4-methoxy-N-(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(CCCN1CCN(CC1)c1cccc(c1)C(F)(F)F)CC1CC1
Show InChI InChI=1S/C25H32F3N3O3S/c1-34-23-8-10-24(11-9-23)35(32,33)31(19-20-6-7-20)13-3-12-29-14-16-30(17-15-29)22-5-2-4-21(18-22)25(26,27)28/h2,4-5,8-11,18,20H,3,6-7,12-17,19H2,1H3
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 124n/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