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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 = 'BDBM162320'   
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))
BDBM162320
PNG
(US10307427, Compound 11 | US9051313, 11)
Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC(O)C2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N9O2S/c1-13(24(25,26)27)36-12-30-33-21(36)23-32-20(10-39-23)31-22(38)16-6-18(35-9-17(29-11-35)14-2-3-14)19(7-28-16)34-5-4-15(37)8-34/h6-7,9-15,37H,2-5,8H2,1H3,(H,31,38)/t13-,15?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.20n/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))
BDBM162320
PNG
(US10307427, Compound 11 | US9051313, 11)
Show SMILES C[C@H](n1cnnc1-c1nc(NC(=O)c2cc(c(cn2)N2CCC(O)C2)-n2cnc(c2)C2CC2)cs1)C(F)(F)F |r|
Show InChI InChI=1S/C24H24F3N9O2S/c1-13(24(25,26)27)36-12-30-33-21(36)23-32-20(10-39-23)31-22(38)16-6-18(35-9-17(29-11-35)14-2-3-14)19(7-28-16)34-5-4-15(37)8-34/h6-7,9-15,37H,2-5,8H2,1H3,(H,31,38)/t13-,15?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.20n/an/an/an/an/an/a



Gildead Sciences, Inc.

US Patent


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...


US Patent US9051313 (2015)


BindingDB Entry DOI: 10.7270/Q21N7ZVX
More data for this
Ligand-Target Pair