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BDBM41193 1-(2-Chloro-benzyl)-8-hydroxy-6-methyl-1H-[1,2,4]triazolo[4,3-b]pyridazin-4-ylium::1-(2-chlorobenzyl)-6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-one;chloride::1-[(2-chlorophenyl)methyl]-6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-4-ium-8-one;chloride::MLS000070992::SMR000010947::cid_646564

SMILES: Cc1cc(O)c2[n+](Cc3ccccc3Cl)ncn2n1

InChI Key: InChIKey=CHRLPJZCIWWRGL-UHFFFAOYSA-O

Data: 1 IC50  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 2 hits for monomerid = 41193   
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
Hsf1 protein


(Mus musculus)
BDBM41193
PNG
(1-(2-Chloro-benzyl)-8-hydroxy-6-methyl-1H-[1,2,4]t...)
Show SMILES Cc1cc(O)c2[n+](Cc3ccccc3Cl)ncn2n1
Show InChI InChI=1S/C13H11ClN4O/c1-9-6-12(19)13-17(15-8-18(13)16-9)7-10-4-2-3-5-11(10)14/h2-6,8H,7H2,1H3/p+1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.60E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Confirmation testing of small molecules identifie...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2P55KXK
More data for this
Ligand-Target Pair
RNA polymerase beta subunit (EC 2.7.7.6)


(Escherichia coli)
BDBM41193
PNG
(1-(2-Chloro-benzyl)-8-hydroxy-6-methyl-1H-[1,2,4]t...)
Show SMILES Cc1cc(O)c2[n+](Cc3ccccc3Cl)ncn2n1
Show InChI InChI=1S/C13H11ClN4O/c1-9-6-12(19)13-17(15-8-18(13)16-9)7-10-4-2-3-5-11(10)14/h2-6,8H,7H2,1H3/p+1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.42E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23N21T1
More data for this
Ligand-Target Pair