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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 = 'BDBM590941'   
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))
BDBM590941
PNG
(N-(8-amino-7-cyanoisoquinolin-3- yl)cyclopropaneca...)
Show SMILES Nc1c(ccc2cc(NC(=O)C3CC3)ncc12)C#N
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
19.6n/an/an/an/an/an/an/an/a


TBA

Assay Description
For the binding assay, 4 ul 2×HPK1 and Eu-anti-GST antibody were added to each well of the assay plate using a Multidrop reagent dispenser. The solut...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GF0ZFV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM590941
PNG
(N-(8-amino-7-cyanoisoquinolin-3- yl)cyclopropaneca...)
Show SMILES Nc1c(ccc2cc(NC(=O)C3CC3)ncc12)C#N
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
20n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00172
BindingDB Entry DOI: 10.7270/Q29G5RT0
More data for this
Ligand-Target Pair