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BDBM46298 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(3-methylbenzylidene)amino]amino]ethanol::2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-[(3-methylphenyl)methylideneamino]amino]ethanol::2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-[(3-methylphenyl)methylideneamino]amino]ethanol::3-methylbenzaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)(2-hydroxyethyl)hydrazone::MLS000686259::SMR000313102::cid_4421869

SMILES: Cc1cccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)c1

InChI Key: InChIKey=HCCITIBPMUACOB-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 = 46298   
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
glutathione S-transferase


(Homo sapiens (Human))
BDBM46298
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(3-methylbe...)
Show SMILES Cc1cccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)c1 |w:7.7,t:12|
Show InChI InChI=1S/C17H17N3O3S/c1-13-5-4-6-14(11-13)12-18-20(9-10-21)17-15-7-2-3-8-16(15)24(22,23)19-17/h2-8,11-12,21H,9-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.64E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M61HPT
More data for this
Ligand-Target Pair
glutathione S-transferase


(Homo sapiens (Human))
BDBM46298
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(3-methylbe...)
Show SMILES Cc1cccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)c1 |w:7.7,t:12|
Show InChI InChI=1S/C17H17N3O3S/c1-13-5-4-6-14(11-13)12-18-20(9-10-21)17-15-7-2-3-8-16(15)24(22,23)19-17/h2-8,11-12,21H,9-10H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 6.02E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2ZC8184
More data for this
Ligand-Target Pair
Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH).


(Homo sapiens (Human))
BDBM46298
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-[(3-methylbe...)
Show SMILES Cc1cccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc23)c1 |w:7.7,t:12|
Show InChI InChI=1S/C17H17N3O3S/c1-13-5-4-6-14(11-13)12-18-20(9-10-21)17-15-7-2-3-8-16(15)24(22,23)19-17/h2-8,11-12,21H,9-10H2,1H3
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.87E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH 1X01 MH079850-01 HTS to identify small molecule regulators of Bcl-2 family protein int...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2GH9GBT
More data for this
Ligand-Target Pair