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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2B' and Ligand = 'BDBM50011238'   
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 2B


(Homo sapiens (Human))
BDBM50011238
PNG
(CHEMBL3260335 | US9981909, Example 29)
Show SMILES Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1
Show InChI InChI=1S/C14H15ClN2O2S/c1-9-17-11(8-20-9)7-18-13-3-2-10(15)4-14(13)19-12-5-16-6-12/h2-4,8,12,16H,5-7H2,1H3
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PC cid
PC sid
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Similars

US Patent
529n/an/an/an/an/an/an/an/a



Novartis



Assay Description
Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI access...


J Med Chem 52: 3523-38 (2009)


BindingDB Entry DOI: 10.7270/Q26T0Q0F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50011238
PNG
(CHEMBL3260335 | US9981909, Example 29)
Show SMILES Cc1nc(COc2ccc(Cl)cc2OC2CNC2)cs1
Show InChI InChI=1S/C14H15ClN2O2S/c1-9-17-11(8-20-9)7-18-13-3-2-10(15)4-14(13)19-12-5-16-6-12/h2-4,8,12,16H,5-7H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
529n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor


ACS Med Chem Lett 5: 284-5 (2014)


Article DOI: 10.1021/ml500082j
BindingDB Entry DOI: 10.7270/Q2NZ8955
More data for this
Ligand-Target Pair