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BDBM50078806 CHEMBL301202::N,N-dimethyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide

SMILES: CN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1

InChI Key: InChIKey=XXXITHRFEANWNW-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50078806   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50078806
PNG
(CHEMBL301202 | N,N-dimethyl-5-(phenylsulfamoyl)-2,...)
Show SMILES CN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C17H19N3O3S/c1-19(2)17(21)20-11-10-13-12-15(8-9-16(13)20)24(22,23)18-14-6-4-3-5-7-14/h3-9,12,18H,10-11H2,1-2H3
PDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...


Bioorg Med Chem Lett 9: 1869-74 (1999)


Article DOI: 10.1016/s0960-894x(99)00277-2
BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))
BDBM50078806
PNG
(CHEMBL301202 | N,N-dimethyl-5-(phenylsulfamoyl)-2,...)
Show SMILES CN(C)C(=O)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C17H19N3O3S/c1-19(2)17(21)20-11-10-13-12-15(8-9-16(13)20)24(22,23)18-14-6-4-3-5-7-14/h3-9,12,18H,10-11H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human beta-2 adrenergic receptor using [125I]-iodocyanopindolol as radioligand to stimulate increase in cAMP...


Bioorg Med Chem Lett 9: 1869-74 (1999)


Article DOI: 10.1016/s0960-894x(99)00277-2
BindingDB Entry DOI: 10.7270/Q2FN15D1
More data for this
Ligand-Target Pair