BindingDB logo
myBDB logout

BDBM50232674 CHEMBL4068850

SMILES: OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12

InChI Key: InChIKey=QAEUAJQTMDSELV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50232674   
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))
BDBM50232674
PNG
(CHEMBL4068850)
Show SMILES OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H15NO4S/c23-13-16-11-15-12-22(18-8-4-9-19(26-16)21(15)18)27(24,25)20-10-3-6-14-5-1-2-7-17(14)20/h1-12,23H,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50232674
PNG
(CHEMBL4068850)
Show SMILES OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H15NO4S/c23-13-16-11-15-12-22(18-8-4-9-19(26-16)21(15)18)27(24,25)20-10-3-6-14-5-1-2-7-17(14)20/h1-12,23H,13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.29E+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 2A


(Homo sapiens (Human))
BDBM50232674
PNG
(CHEMBL4068850)
Show SMILES OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H15NO4S/c23-13-16-11-15-12-22(18-8-4-9-19(26-16)21(15)18)27(24,25)20-10-3-6-14-5-1-2-7-17(14)20/h1-12,23H,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50232674
PNG
(CHEMBL4068850)
Show SMILES OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H15NO4S/c23-13-16-11-15-12-22(18-8-4-9-19(26-16)21(15)18)27(24,25)20-10-3-6-14-5-1-2-7-17(14)20/h1-12,23H,13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>1.00E+4n/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