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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 11' and Ligand = 'BDBM354830'   
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 11


(Homo sapiens (Human))
BDBM354830
PNG
(1-(cyclopropylmethyl)-6-(3- methoxy-4-(2- morpholi...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
Show InChI InChI=1S/C22H27N5O4/c1-29-19-12-16(4-5-18(19)31-11-8-26-6-9-30-10-7-26)17-13-23-20-21(24-17)27(22(28)25-20)14-15-2-3-15/h4-5,12-13,15H,2-3,6-11,14H2,1H3,(H,23,25,28)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



The University of Rochester; Board of Regents of the University of Nebraska

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US10485800 (2019)


BindingDB Entry DOI: 10.7270/Q22B91DW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11


(Homo sapiens (Human))
BDBM354830
PNG
(1-(cyclopropylmethyl)-6-(3- methoxy-4-(2- morpholi...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]c(=O)n(CC3CC3)c2n1
Show InChI InChI=1S/C22H27N5O4/c1-29-19-12-16(4-5-18(19)31-11-8-26-6-9-30-10-7-26)17-13-23-20-21(24-17)27(22(28)25-20)14-15-2-3-15/h4-5,12-13,15H,2-3,6-11,14H2,1H3,(H,23,25,28)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/an/an/an/an/an/a



The University of Rochester

US Patent


Assay Description
200 ng (130 nM) MLK3 (Dundee, DU8313) was incubated with 1 μM inactive MKK7b (Dundee, DU703) in the presence of 2 μM cold ATP (Km) and 0.5 ...


US Patent US9814704 (2017)


BindingDB Entry DOI: 10.7270/Q27H1MRN
More data for this
Ligand-Target Pair