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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 = 'BDBM354749'   
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))
BDBM354749
PNG
(Preparation of 4-(5-(3,4-dimethoxyphenyl)-1H-pyrro...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C22H19N3O3/c1-27-19-8-7-15(10-20(19)28-2)16-9-17-18(12-25-22(17)24-11-16)13-3-5-14(6-4-13)21(23)26/h3-12H,1-2H3,(H2,23,26)(H,24,25)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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))
BDBM354749
PNG
(Preparation of 4-(5-(3,4-dimethoxyphenyl)-1H-pyrro...)
Show SMILES COc1ccc(cc1OC)-c1cnc2[nH]cc(-c3ccc(cc3)C(N)=O)c2c1
Show InChI InChI=1S/C22H19N3O3/c1-27-19-8-7-15(10-20(19)28-2)16-9-17-18(12-25-22(17)24-11-16)13-3-5-14(6-4-13)21(23)26/h3-12H,1-2H3,(H2,23,26)(H,24,25)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/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