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BDBM50306821 CHEMBL602889::N-(Cyclopropylmethyl)-N-(3-(4-(4-fluorophenyl)piperazin-1-yl)propyl)quinoline-8-sulfonamid

SMILES: Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1

InChI Key: InChIKey=VFUQKLHANIZIQH-UHFFFAOYSA-N

Data: 3 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50306821   
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))
BDBM50306821
PNG
(CHEMBL602889 | N-(Cyclopropylmethyl)-N-(3-(4-(4-fl...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C26H31FN4O2S/c27-23-9-11-24(12-10-23)30-18-16-29(17-19-30)14-3-15-31(20-21-7-8-21)34(32,33)25-6-1-4-22-5-2-13-28-26(22)25/h1-2,4-6,9-13,21H,3,7-8,14-20H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 8.30n/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))
BDBM50306821
PNG
(CHEMBL602889 | N-(Cyclopropylmethyl)-N-(3-(4-(4-fl...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C26H31FN4O2S/c27-23-9-11-24(12-10-23)30-18-16-29(17-19-30)14-3-15-31(20-21-7-8-21)34(32,33)25-6-1-4-22-5-2-13-28-26(22)25/h1-2,4-6,9-13,21H,3,7-8,14-20H2
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Article
PubMed
n/an/a 35.3n/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


(Homo sapiens (Human))
BDBM50306821
PNG
(CHEMBL602889 | N-(Cyclopropylmethyl)-N-(3-(4-(4-fl...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
Show InChI InChI=1S/C26H31FN4O2S/c27-23-9-11-24(12-10-23)30-18-16-29(17-19-30)14-3-15-31(20-21-7-8-21)34(32,33)25-6-1-4-22-5-2-13-28-26(22)25/h1-2,4-6,9-13,21H,3,7-8,14-20H2
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UniChem

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Article
PubMed
n/an/a 4.76E+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