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BDBM50166843 CHEMBL3797293

SMILES: CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccnc1

InChI Key: InChIKey=UFEABECFKJGHBC-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50166843   
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))
BDBM50166843
PNG
(CHEMBL3797293)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccnc1
Show InChI InChI=1S/C21H27N5O2S/c1-16(2)15-29(27,28)26-8-6-18-19(17-5-4-7-22-14-17)13-20(23-21(18)26)25-11-9-24(3)10-12-25/h4-8,13-14,16H,9-12,15H2,1-3H3
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PC cid
PC sid
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Article
PubMed
36n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50166843
PNG
(CHEMBL3797293)
Show SMILES CC(C)CS(=O)(=O)n1ccc2c(cc(nc12)N1CCN(C)CC1)-c1cccnc1
Show InChI InChI=1S/C21H27N5O2S/c1-16(2)15-29(27,28)26-8-6-18-19(17-5-4-7-22-14-17)13-20(23-21(18)26)25-11-9-24(3)10-12-25/h4-8,13-14,16H,9-12,15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Selvita S.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method


Bioorg Med Chem Lett 26: 2610-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.024
BindingDB Entry DOI: 10.7270/Q2VM4F48
More data for this
Ligand-Target Pair