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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50060681'   
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


(Rattus norvegicus (Rat))
BDBM50060681
PNG
((6aR,9R)-4,7-Dimethyl-4,6,6a,7,8,9-hexahydro-indol...)
Show SMILES CCC(CC)NC(=O)[C@H]1CN(C)[C@@H]2Cc3cn(C)c4cccc(C2=C1)c34 |c:24|
Show InChI InChI=1S/C22H29N3O/c1-5-16(6-2)23-22(26)15-10-18-17-8-7-9-19-21(17)14(12-24(19)3)11-20(18)25(4)13-15/h7-10,12,15-16,20H,5-6,11,13H2,1-4H3,(H,23,26)/t15-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



Universit£ di Siena

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled [3H]-Ketanserin ligand binding to 5-hydroxytryptamine 2C receptor


J Med Chem 40: 3670-8 (1997)


Article DOI: 10.1021/jm970376w
BindingDB Entry DOI: 10.7270/Q24Q7VP2
More data for this
Ligand-Target Pair