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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50011240'   
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 2A


(Homo sapiens (Human))
BDBM50011240
PNG
(CHEMBL3260337 | US9981909, Example 200)
Show SMILES C[C@@H](Oc1ccc(cc1OC1CNC1)C(F)(F)F)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H17F6NO2/c1-11(12-3-2-4-13(7-12)18(20,21)22)27-16-6-5-14(19(23,24)25)8-17(16)28-15-9-26-10-15/h2-8,11,15,26H,9-10H2,1H3/t11-/m1/s1
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PC cid
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Similars

US Patent
605n/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 2A


(Homo sapiens (Human))
BDBM50011240
PNG
(CHEMBL3260337 | US9981909, Example 200)
Show SMILES C[C@@H](Oc1ccc(cc1OC1CNC1)C(F)(F)F)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H17F6NO2/c1-11(12-3-2-4-13(7-12)18(20,21)22)27-16-6-5-14(19(23,24)25)8-17(16)28-15-9-26-10-15/h2-8,11,15,26H,9-10H2,1H3/t11-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
605n/an/an/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A 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