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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 7' and Ligand = 'BDBM50354503'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50354503
PNG
(CHEMBL259087)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C(=O)Nc2ccccc12 |w:2.2|
Show InChI InChI=1S/C24H29Cl2N3O/c1-2-24(19-7-3-4-8-22(19)27-23(24)30)11-5-6-12-28-13-15-29(16-14-28)18-9-10-20(25)21(26)17-18/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H,27,30)
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PC cid
PC sid
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Similars

Article
PubMed
0.600n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc.

Curated by ChEMBL


Assay Description
Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry


J Med Chem 54: 6657-69 (2011)


Article DOI: 10.1021/jm200547z
BindingDB Entry DOI: 10.7270/Q25Q4WGZ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50354503
PNG
(CHEMBL259087)
Show SMILES CCC1(CCCCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C(=O)Nc2ccccc12 |w:2.2|
Show InChI InChI=1S/C24H29Cl2N3O/c1-2-24(19-7-3-4-8-22(19)27-23(24)30)11-5-6-12-28-13-15-29(16-14-28)18-9-10-20(25)21(26)17-18/h3-4,7-10,17H,2,5-6,11-16H2,1H3,(H,27,30)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.630n/an/an/an/an/an/an/an/a



EGIS Pharmaceuticals Plc

Curated by ChEMBL


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


J Med Chem 51: 2522-32 (2008)


Article DOI: 10.1021/jm070279v
BindingDB Entry DOI: 10.7270/Q2QF8TQ0
More data for this
Ligand-Target Pair