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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '5'-AMP-activated protein kinase catalytic subunit alpha-1' and Ligand = 'BDBM50237288'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM50237288
PNG
(CHEMBL4073198)
Show SMILES COCCn1cc(NC(=O)c2csc(n2)-c2nncn2C(C)C)cn1
Show InChI InChI=1S/C15H19N7O2S/c1-10(2)22-9-16-20-13(22)15-19-12(8-25-15)14(23)18-11-6-17-21(7-11)4-5-24-3/h6-10H,4-5H2,1-3H3,(H,18,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 794n/an/an/an/an/an/a



Takeda California Inc.

Curated by ChEMBL


Assay Description
Inhibition of PRKAA1 (unknown origin)


Bioorg Med Chem Lett 27: 1709-1713 (2017)

More data for this
Ligand-Target Pair