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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 486.4
BDBM60578
Wt: 486.4
BDBM177013
Wt: 486.4
BDBM177577

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

Found 3 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
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM177577
PNG
(US9120749, 944)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-4.17,5,;-2.84,4.23,;-1.51,5,;-2.84,2.69,;-1.51,1.93,;-1.51,.38,;-.17,-.38,;1.16,.38,;1.16,1.93,;-.17,2.69,;2.49,-.38,;2.49,-1.93,;3.83,-2.69,;3.83,-4.23,;2.49,-5,;1.16,-4.23,;-.17,-5,;-1.51,-4.23,;-1.51,-2.69,;-.17,-1.92,;1.16,-2.69,;-2.84,-1.93,;-4.17,-2.69,;-5.51,-1.93,;-6.84,-2.69,;-5.51,-.38,;-6.84,.39,;-4.17,.38,;-4.17,1.93,;-2.84,-.38,;5.16,-1.92,;6.49,-2.69,;5.16,-.38,)|
Show InChI InChI=1S/C26H29Cl2N3O2/c1-15(32)21-13-29-24-9-6-17(18-11-22(27)26(33)23(28)12-18)10-20(24)25(21)30-19-7-4-16(5-8-19)14-31(2)3/h6,9-13,16,19,33H,4-5,7-8,14H2,1-3H3,(H,29,30)/t16-,19-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.940n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...


US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM60578
PNG
(US9120749, 864)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-2.51,5.78,;-1.42,4.7,;.06,5.09,;-1.82,3.21,;-.73,2.12,;-1.13,.63,;-.04,-.46,;1.44,-.06,;1.84,1.43,;.75,2.52,;2.53,-1.15,;2.53,-2.66,;3.87,-3.43,;3.87,-4.97,;2.53,-5.74,;1.2,-4.97,;-.13,-5.74,;-1.47,-4.97,;-1.47,-3.43,;-.13,-2.66,;1.2,-3.43,;-2.8,-2.66,;-2.8,-1.12,;-4.13,-.35,;-4.13,.99,;-5.47,-1.12,;-6.8,-.35,;-5.47,-2.66,;-6.8,-3.43,;-4.13,-3.43,;5.2,-2.66,;6.53,-3.43,;5.2,-1.12,)|
Show InChI InChI=1S/C26H29Cl2N3O2/c1-15(32)21-13-29-24-9-6-17(18-11-22(27)26(33)23(28)12-18)10-20(24)25(21)30-19-7-4-16(5-8-19)14-31(2)3/h6,9-13,16,19,33H,4-5,7-8,14H2,1-3H3,(H,29,30)/t16-,19-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.10n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...


US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM177013
PNG
(US9120749, 379)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(cc12)-c1cc(Cl)c(O)c(Cl)c1)C(C)=O |r,wU:7.10,wD:4.3,(-1.33,5.01,;-2.67,4.24,;-4,5.01,;-2.67,2.7,;-1.33,1.92,;-1.33,.38,;,-.38,;1.33,.38,;1.33,1.92,;,2.69,;2.67,-.39,;2.67,-1.93,;4,-2.7,;4,-4.24,;2.67,-5.01,;1.33,-4.24,;,-5.01,;-1.33,-4.24,;-1.33,-2.7,;,-1.92,;1.33,-2.7,;-2.67,-1.93,;-4,-2.7,;-5.33,-1.93,;-6.67,-2.7,;-5.33,-.39,;-6.67,.38,;-4,.39,;-4,1.93,;-2.67,-.39,;5.33,-1.92,;6.67,-2.69,;5.33,-.38,)|
Show InChI InChI=1S/C26H29Cl2N3O2/c1-15(32)21-13-29-24-9-6-17(18-11-22(27)26(33)23(28)12-18)10-20(24)25(21)30-19-7-4-16(5-8-19)14-31(2)3/h6,9-13,16,19,33H,4-5,7-8,14H2,1-3H3,(H,29,30)/t16-,19-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.10n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...


US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair