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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 = 'BDBM354831'   
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))
BDBM354831
PNG
(1-cyclopentyl-6-(3- methoxy-4-(2- morpholinoethoxy...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C23H29N5O4/c1-30-20-14-16(6-7-19(20)32-13-10-27-8-11-31-12-9-27)18-15-24-21-22(25-18)28(23(29)26-21)17-4-2-3-5-17/h6-7,14-15,17H,2-5,8-13H2,1H3,(H,24,26,29)
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))
BDBM354831
PNG
(1-cyclopentyl-6-(3- methoxy-4-(2- morpholinoethoxy...)
Show SMILES COc1cc(ccc1OCCN1CCOCC1)-c1cnc2[nH]c(=O)n(C3CCCC3)c2n1
Show InChI InChI=1S/C23H29N5O4/c1-30-20-14-16(6-7-19(20)32-13-10-27-8-11-31-12-9-27)18-15-24-21-22(25-18)28(23(29)26-21)17-4-2-3-5-17/h6-7,14-15,17H,2-5,8-13H2,1H3,(H,24,26,29)
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