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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 426.4
BDBM354872

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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))
BDBM354872
PNG
(Preparation of 4-{5-[4-(piperazine-1-carbonyl)-phe...)
Show SMILES NC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)C(=O)N1CC[NH2+]CC1
Show InChI InChI=1S/C25H23N5O2/c26-23(31)18-5-3-17(4-6-18)22-15-29-24-21(22)13-20(14-28-24)16-1-7-19(8-2-16)25(32)30-11-9-27-10-12-30/h1-8,13-15,27H,9-12H2,(H2,26,31)(H,28,29)/p+1
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))
BDBM354872
PNG
(Preparation of 4-{5-[4-(piperazine-1-carbonyl)-phe...)
Show SMILES NC(=O)c1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)C(=O)N1CC[NH2+]CC1
Show InChI InChI=1S/C25H23N5O2/c26-23(31)18-5-3-17(4-6-18)22-15-29-24-21(22)13-20(14-28-24)16-1-7-19(8-2-16)25(32)30-11-9-27-10-12-30/h1-8,13-15,27H,9-12H2,(H2,26,31)(H,28,29)/p+1
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