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BDBM46297 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-(4-pyridylmethyleneamino)amino]ethanol;hydrochloride::2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-(pyridin-4-ylmethylideneamino)amino]ethanol;hydrochloride::2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-(pyridin-4-ylmethylideneamino)amino]ethanol;hydrochloride::MLS000682942::SMR000313025::cid_16193778::isonicotinaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)(2-hydroxyethyl)hydrazone

SMILES: OCCN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12

InChI Key: InChIKey=FYTYNQBPEZIVJX-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 = 46297   
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))
BDBM46297
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-(4-pyridylme...)
Show SMILES OCCN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:13|
Show InChI InChI=1S/C15H14N4O3S/c20-10-9-19(17-11-12-5-7-16-8-6-12)15-13-3-1-2-4-14(13)23(21,22)18-15/h1-8,11,20H,9-10H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.28E+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))
BDBM46297
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-(4-pyridylme...)
Show SMILES OCCN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:13|
Show InChI InChI=1S/C15H14N4O3S/c20-10-9-19(17-11-12-5-7-16-8-6-12)15-13-3-1-2-4-14(13)23(21,22)18-15/h1-8,11,20H,9-10H2
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 3.61E+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))
BDBM46297
PNG
(2-[(1,1-diketo-1,2-benzothiazol-3-yl)-(4-pyridylme...)
Show SMILES OCCN(N=Cc1ccncc1)C1=NS(=O)(=O)c2ccccc12 |w:4.3,t:13|
Show InChI InChI=1S/C15H14N4O3S/c20-10-9-19(17-11-12-5-7-16-8-6-12)15-13-3-1-2-4-14(13)23(21,22)18-15/h1-8,11,20H,9-10H2
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.18E+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