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BDBM83427 4-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride::MLS001239388::N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-4-[ethyl-(phenylmethyl)sulfamoyl]benzamide;hydrochloride::SMR000807886::cid_24892090

SMILES: CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2c(C)c(C)ccc2s1

InChI Key: InChIKey=NNWLPSHIRKXURN-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 83427   
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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM83427
PNG
(4-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)pro...)
Show SMILES CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2c(C)c(C)ccc2s1
Show InChI InChI=1S/C30H36N4O3S2/c1-6-33(21-24-11-8-7-9-12-24)39(36,37)26-16-14-25(15-17-26)29(35)34(20-10-19-32(4)5)30-31-28-23(3)22(2)13-18-27(28)38-30/h7-9,11-18H,6,10,19-21H2,1-5H3
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Similars

Article
PCBioAssay
n/an/an/an/a 7.89E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/acs.biochem.5b00135
BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair