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BDBM80844 MLS000531839::N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-ethyl-naphthalene-2-sulfonamide::N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-N-ethyl-naphthalene-2-sulfonamide::N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethyl-2-naphthalenesulfonamide::N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-ethylnaphthalene-2-sulfonamide::N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-ethyl-2-naphthalenesulfonamide (non-preferred name)::SMR000136818::cid_2236888

SMILES: CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=TWLBILDSHPFUGT-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 80844   
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
Phospholipase A2


(Homo sapiens (Human))
BDBM80844
PNG
(MLS000531839 | N-[2-(3,4-dihydro-1H-isoquinolin-2-...)
Show SMILES CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H24N2O3S/c1-2-25(17-23(26)24-14-13-19-8-4-6-10-21(19)16-24)29(27,28)22-12-11-18-7-3-5-9-20(18)15-22/h3-12,15H,2,13-14,16-17H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a 4.17E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi501197t
BindingDB Entry DOI: 10.7270/Q26M35BC
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM80844
PNG
(MLS000531839 | N-[2-(3,4-dihydro-1H-isoquinolin-2-...)
Show SMILES CCN(CC(=O)N1CCc2ccccc2C1)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C23H24N2O3S/c1-2-25(17-23(26)24-14-13-19-8-4-6-10-21(19)16-24)29(27,28)22-12-11-18-7-3-5-9-20(18)15-22/h3-12,15H,2,13-14,16-17H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.37E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2BZ64H1
More data for this
Ligand-Target Pair