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BDBM50159785 CHEMBL3785231

SMILES: CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCNCC2)C=N1

InChI Key: InChIKey=INAJIJXXPOZYFM-UHFFFAOYSA-N

Data: 1 KI

PDB links: 60 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50159785   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50159785
PNG
(CHEMBL3785231)
Show SMILES CCN\C(=N/S(=O)(=O)c1ccc(N)cc1)N1CC2(CCNCC2)C=N1 |c:25|
Show InChI InChI=1S/C16H24N6O2S/c1-2-19-15(21-25(23,24)14-5-3-13(17)4-6-14)22-12-16(11-20-22)7-9-18-10-8-16/h3-6,11,18H,2,7-10,12,17H2,1H3,(H,19,21)
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Similars

PubMed
14n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation count...


Bioorg Med Chem Lett 26: 1605-11 (2016)


BindingDB Entry DOI: 10.7270/Q2JS9SBX
More data for this
Ligand-Target Pair