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BDBM50238482 CHEMBL4065444

SMILES: Clc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1Cl

InChI Key: InChIKey=IBAXTMXGXUKMSM-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 = 50238482   
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 2B


(Homo sapiens (Human))
BDBM50238482
PNG
(CHEMBL4065444)
Show SMILES Clc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1Cl
Show InChI InChI=1S/C14H12Cl2N2O2S/c15-10-3-1-2-9(12(10)16)13-17-11(8-21-13)14(19)18-4-6-20-7-5-18/h1-3,8H,4-7H2
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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-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 2A


(Homo sapiens (Human))
BDBM50238482
PNG
(CHEMBL4065444)
Show SMILES Clc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1Cl
Show InChI InChI=1S/C14H12Cl2N2O2S/c15-10-3-1-2-9(12(10)16)13-17-11(8-21-13)14(19)18-4-6-20-7-5-18/h1-3,8H,4-7H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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
Inhibition of human kidney renin


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))
BDBM50238482
PNG
(CHEMBL4065444)
Show SMILES Clc1cccc(-c2nc(cs2)C(=O)N2CCOCC2)c1Cl
Show InChI InChI=1S/C14H12Cl2N2O2S/c15-10-3-1-2-9(12(10)16)13-17-11(8-21-13)14(19)18-4-6-20-7-5-18/h1-3,8H,4-7H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 119n/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