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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' and Ligand = 'BDBM50301510'   
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))
BDBM50301510
PNG
(1-(3-(4-chloro-1-methyl-1H-pyrazol-5-yl)-4-(2-(pyr...)
Show SMILES Cn1ncc(Cl)c1-c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1OCCN1CCCC1 |(29.87,3.61,;29.84,2.07,;31.07,1.14,;30.56,-.32,;29.02,-.28,;28.09,-1.51,;28.58,1.19,;27.13,1.71,;25.8,.94,;24.47,1.71,;23.13,.94,;21.8,1.7,;21.8,3.24,;20.47,.93,;19.13,1.7,;17.8,.93,;16.46,1.7,;16.46,3.24,;15.13,4.01,;17.79,4.01,;19.13,3.25,;24.46,3.24,;25.79,4.02,;27.13,3.25,;28.46,4.02,;28.46,5.56,;29.79,6.34,;31.12,5.57,;31.6,4.11,;33.14,4.12,;33.61,5.59,;32.36,6.49,)|
Show InChI InChI=1S/C23H25Cl2N5O2/c1-29-22(20(25)15-26-29)19-14-18(28-23(31)27-17-6-4-16(24)5-7-17)8-9-21(19)32-13-12-30-10-2-3-11-30/h4-9,14-15H,2-3,10-13H2,1H3,(H2,27,28,31)
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PC cid
PC sid
UniChem

Patents

Article
PubMed
0.260n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from 5HT2A receptor expressed in HEK cells


Bioorg Med Chem Lett 19: 5486-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.073
BindingDB Entry DOI: 10.7270/Q20V8CWG
More data for this
Ligand-Target Pair