BindingDB logo
myBDB logout

BDBM50052 2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]propanoic acid::2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]propanoic acid::2-[[3-(p-tolyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]propionic acid::MLS000100415::SMR000016805::cid_5310097

SMILES: CC(Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)C(O)=O

InChI Key: InChIKey=JAMKGUQXTQHPSZ-UHFFFAOYSA-N

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 = 50052   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50052
PNG
(2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES CC(Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)C(O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-9-3-5-11(6-4-9)14-17-16-12-7-8-13(18-19(12)14)22-10(2)15(20)21/h3-8,10H,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.42E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1


(Homo sapiens (Human))
BDBM50052
PNG
(2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyrid...)
Show SMILES CC(Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)C(O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-9-3-5-11(6-4-9)14-17-16-12-7-8-13(18-19(12)14)22-10(2)15(20)21/h3-8,10H,1-2H3,(H,20,21)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.86E+3n/an/an/an/an/an/a



Emory University

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q23X8539
More data for this
Ligand-Target Pair