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BDBM50238490 CHEMBL4080787

SMILES: Cc1nc(sc1C(=O)N1CCOCC1)-c1cccc(Cl)c1Cl

InChI Key: InChIKey=IXAXEXIXARPUQP-UHFFFAOYSA-N

Data: 3 EC50

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 3 hits for monomerid = 50238490   
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 2A


(Homo sapiens (Human))
BDBM50238490
PNG
(CHEMBL4080787)
Show SMILES Cc1nc(sc1C(=O)N1CCOCC1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O2S/c1-9-13(15(20)19-5-7-21-8-6-19)22-14(18-9)10-3-2-4-11(16)12(10)17/h2-4H,5-8H2,1H3
PDB
MMDB

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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2A receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...


J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50238490
PNG
(CHEMBL4080787)
Show SMILES Cc1nc(sc1C(=O)N1CCOCC1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O2S/c1-9-13(15(20)19-5-7-21-8-6-19)22-14(18-9)10-3-2-4-11(16)12(10)17/h2-4H,5-8H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2B receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...


J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50238490
PNG
(CHEMBL4080787)
Show SMILES Cc1nc(sc1C(=O)N1CCOCC1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C15H14Cl2N2O2S/c1-9-13(15(20)19-5-7-21-8-6-19)22-14(18-9)10-3-2-4-11(16)12(10)17/h2-4H,5-8H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human 5-HT2C receptor expressed in HEK293E cells assessed as induction of intracellular Ca2+ levels after 90 secs by ...


J Med Chem 60: 6166-6190 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00385
BindingDB Entry DOI: 10.7270/Q25M680Z
More data for this
Ligand-Target Pair