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BDBM50232666 CHEMBL4083059

SMILES: CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12

InChI Key: InChIKey=YUUOXBXREAOWNB-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50232666   
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))
BDBM50232666
PNG
(CHEMBL4083059)
Show SMILES CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O3S/c1-24(2)15-18-13-17-14-25(20-10-6-11-21(28-18)23(17)20)29(26,27)22-12-5-8-16-7-3-4-9-19(16)22/h3-14H,15H2,1-2H3
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PubMed
1n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


BindingDB Entry DOI: 10.7270/Q2DN479B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50232666
PNG
(CHEMBL4083059)
Show SMILES CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O3S/c1-24(2)15-18-13-17-14-25(20-10-6-11-21(28-18)23(17)20)29(26,27)22-12-5-8-16-7-3-4-9-19(16)22/h3-14H,15H2,1-2H3
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PubMed
438n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5-HT7b receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


BindingDB Entry DOI: 10.7270/Q2DN479B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232666
PNG
(CHEMBL4083059)
Show SMILES CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O3S/c1-24(2)15-18-13-17-14-25(20-10-6-11-21(28-18)23(17)20)29(26,27)22-12-5-8-16-7-3-4-9-19(16)22/h3-14H,15H2,1-2H3
PDB
MMDB

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PubMed
489n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


BindingDB Entry DOI: 10.7270/Q2DN479B
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50232666
PNG
(CHEMBL4083059)
Show SMILES CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O3S/c1-24(2)15-18-13-17-14-25(20-10-6-11-21(28-18)23(17)20)29(26,27)22-12-5-8-16-7-3-4-9-19(16)22/h3-14H,15H2,1-2H3
PDB

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UniProtKB/TrEMBL

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PubMed
1.49E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from D2L receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


BindingDB Entry DOI: 10.7270/Q2DN479B
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50232666
PNG
(CHEMBL4083059)
Show SMILES CN(C)Cc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H20N2O3S/c1-24(2)15-18-13-17-14-25(20-10-6-11-21(28-18)23(17)20)29(26,27)22-12-5-8-16-7-3-4-9-19(16)22/h3-14H,15H2,1-2H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
5.97E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


BindingDB Entry DOI: 10.7270/Q2DN479B
More data for this
Ligand-Target Pair