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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 5' and Ligand = 'BDBM394380'   
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 5


(Homo sapiens (Human))
BDBM394380
PNG
((S)-4-(4-cyclopropyl-1H-imidazol-1-yl)-5-(3-hydrox...)
Show SMILES CC(n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CC(C)(O)C2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N9O2S/c1-13(24(25,26)27)36-12-30-33-20(36)22-32-19(8-39-22)31-21(37)15-5-17(34-7-16(29-11-34)14-3-4-14)18(6-28-15)35-9-23(2,38)10-35/h5-8,11-14,38H,3-4,9-10H2,1-2H3,(H,31,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.69n/an/an/an/an/an/a



Washington University



Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2K64MD9
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 5


(Homo sapiens (Human))
BDBM394380
PNG
((S)-4-(4-cyclopropyl-1H-imidazol-1-yl)-5-(3-hydrox...)
Show SMILES CC(n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CC(C)(O)C2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F
Show InChI InChI=1S/C24H24F3N9O2S/c1-13(24(25,26)27)36-12-30-33-20(36)22-32-19(8-39-22)31-21(37)15-5-17(34-7-16(29-11-34)14-3-4-14)18(6-28-15)35-9-23(2,38)10-35/h5-8,11-14,38H,3-4,9-10H2,1-2H3,(H,31,37)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 5.21n/an/an/an/a



Washington University



Assay Description
The assay measures the phosphorylation level of a biotinylated peptide substrate by the ASK1 kinase using HTRF detection (6.1). This is a competitive...


J Med Chem 52: 2188-91 (2009)


BindingDB Entry DOI: 10.7270/Q2K64MD9
More data for this
Ligand-Target Pair