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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 357.3
BDBM354765

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))
BDBM354765
PNG
(Preparation of 6-(4-hydroxyphenyl)-1-(1-methyl-1H-...)
Show SMILES Cn1ccc2cc(ccc12)-n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C20H15N5O2/c1-24-9-8-13-10-14(4-7-17(13)24)25-19-18(23-20(25)27)21-11-16(22-19)12-2-5-15(26)6-3-12/h2-11,26H,1H3,(H,21,23,27)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/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))
BDBM354765
PNG
(Preparation of 6-(4-hydroxyphenyl)-1-(1-methyl-1H-...)
Show SMILES Cn1ccc2cc(ccc12)-n1c2nc(cnc2[nH]c1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C20H15N5O2/c1-24-9-8-13-10-14(4-7-17(13)24)25-19-18(23-20(25)27)21-11-16(22-19)12-2-5-15(26)6-3-12/h2-11,26H,1H3,(H,21,23,27)
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+3n/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