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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 1' and Ligand = 'BDBM552514'   
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
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM552514
PNG
(2-((2-Methoxy-4-(4-methylpiperazine-1-carbonyl)phe...)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(F)cccc2F)n1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
WIPO WO2022098809
n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to colum...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DN4889
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM552514
PNG
(2-((2-Methoxy-4-(4-methylpiperazine-1-carbonyl)phe...)
Show SMILES COc1cc2CCN(C)Cc2cc1Nc1ncc(C(N)=O)c(Nc2c(F)cccc2F)n1
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HPK1 (unknown origin) using SLP76 as substrate incubated for 1 hr by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00096
BindingDB Entry DOI: 10.7270/Q2B2802B
More data for this
Ligand-Target Pair