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BDBM50306820 CHEMBL602878::N-(Cyclopropylmethyl)-N-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propyl)quinoline-8-sulfonamide

SMILES: FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1

InChI Key: InChIKey=MOHNVYNDWAHEEY-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50306820   
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))
BDBM50306820
PNG
(CHEMBL602878 | N-(Cyclopropylmethyl)-N-(3-(4-(3-(t...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C27H31F3N4O2S/c28-27(29,30)23-7-2-8-24(19-23)33-17-15-32(16-18-33)13-4-14-34(20-21-10-11-21)37(35,36)25-9-1-5-22-6-3-12-31-26(22)25/h1-3,5-9,12,19,21H,4,10-11,13-18,20H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 75n/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))
BDBM50306820
PNG
(CHEMBL602878 | N-(Cyclopropylmethyl)-N-(3-(4-(3-(t...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C27H31F3N4O2S/c28-27(29,30)23-7-2-8-24(19-23)33-17-15-32(16-18-33)13-4-14-34(20-21-10-11-21)37(35,36)25-9-1-5-22-6-3-12-31-26(22)25/h1-3,5-9,12,19,21H,4,10-11,13-18,20H2
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PC sid
UniChem

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Article
PubMed
n/an/a 6.30n/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
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50306820
PNG
(CHEMBL602878 | N-(Cyclopropylmethyl)-N-(3-(4-(3-(t...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C27H31F3N4O2S/c28-27(29,30)23-7-2-8-24(19-23)33-17-15-32(16-18-33)13-4-14-34(20-21-10-11-21)37(35,36)25-9-1-5-22-6-3-12-31-26(22)25/h1-3,5-9,12,19,21H,4,10-11,13-18,20H2
Reactome pathway
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 694n/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