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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50352717'   
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 2C


(Homo sapiens (Human))
BDBM50352717
PNG
(CHEMBL1823213 | US8835436, Example 151)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m1/s1
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Similars

Article
PubMed
n/an/a 227n/an/an/an/an/an/a



Green Cross Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human recombinant 5-HT2C receptor expressed in CHO-K1 cells


J Med Chem 54: 6305-18 (2011)


Article DOI: 10.1021/jm200682b
BindingDB Entry DOI: 10.7270/Q2SX6DMC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50352717
PNG
(CHEMBL1823213 | US8835436, Example 151)
Show SMILES Cc1nc(C(=O)NC[C@@H](O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H35N5O2/c1-19-9-8-12-25(20(19)2)31-15-13-30(14-16-31)18-24(33)17-28-27(34)26-21(3)32(22(4)29-26)23-10-6-5-7-11-23/h5-12,24,33H,13-18H2,1-4H3,(H,28,34)/t24-/m1/s1
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PC sid
UniChem

Similars

US Patent
n/an/a 227n/an/an/an/a7.4n/a



Green Cross Corporation

US Patent


Assay Description
For serotonin 5-HT2A binding, an aliquot of human recombinant serotonin 5-HT2A receptor (PerkinElmer Life and Analytical Sciences, USA) expressed in ...


US Patent US8835436 (2014)


BindingDB Entry DOI: 10.7270/Q24T6H2H
More data for this
Ligand-Target Pair