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PubMed code 27187609

Compile data set for download or QSAR
Found 37 hits of Enzyme Inhibition Constant Data   
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))
BDBM50185443
PNG
(CHEMBL3824328)
Show SMILES Fc1cc(ccc1-n1cc(cn1)-c1ccncc1OCC1CCNCC1)N1CCOCC1
Show InChI InChI=1S/C24H28FN5O2/c25-22-13-20(29-9-11-31-12-10-29)1-2-23(22)30-16-19(14-28-30)21-5-8-27-15-24(21)32-17-18-3-6-26-7-4-18/h1-2,5,8,13-16,18,26H,3-4,6-7,9-12,17H2
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n/an/a 0.300n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185439
PNG
(CHEMBL3823975)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OC[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C26H34N6O/c1-30-12-14-31(15-13-30)23-6-8-24(9-7-23)32-18-21(16-29-32)25-10-11-28-17-26(25)33-19-20-2-4-22(27)5-3-20/h6-11,16-18,20,22H,2-5,12-15,19,27H2,1H3/t20-,22-
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185433
PNG
(CHEMBL3824068)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1
Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185433
PNG
(CHEMBL3824068)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1
Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity to MELK (unknown origin) expressed in Escherichia coli by SPR analysis


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185436
PNG
(CHEMBL3823874)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OC1CCCCC1
Show InChI InChI=1S/C25H31N5O/c1-28-13-15-29(16-14-28)21-7-9-22(10-8-21)30-19-20(17-27-30)24-11-12-26-18-25(24)31-23-5-3-2-4-6-23/h7-12,17-19,23H,2-6,13-16H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185433
PNG
(CHEMBL3824068)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1
Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of full-length MELK (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence of 2...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185437
PNG
(CHEMBL3822465)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OC1CCNCC1
Show InChI InChI=1S/C24H30N6O/c1-28-12-14-29(15-13-28)20-2-4-21(5-3-20)30-18-19(16-27-30)23-8-11-26-17-24(23)31-22-6-9-25-10-7-22/h2-5,8,11,16-18,22,25H,6-7,9-10,12-15H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185434
PNG
(CHEMBL3823302)
Show SMILES C(Oc1cnccc1-c1cnn(c1)-c1ccc(cc1)N1CCOCC1)C1CCNCC1
Show InChI InChI=1S/C24H29N5O2/c1-3-22(4-2-21(1)28-11-13-30-14-12-28)29-17-20(15-27-29)23-7-10-26-16-24(23)31-18-19-5-8-25-9-6-19/h1-4,7,10,15-17,19,25H,5-6,8-9,11-14,18H2
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185435
PNG
(CHEMBL3823918)
Show SMILES CC(C)COc1cnccc1-c1cnn(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H29N5O/c1-18(2)17-29-23-15-24-9-8-22(23)19-14-25-28(16-19)21-6-4-20(5-7-21)27-12-10-26(3)11-13-27/h4-9,14-16,18H,10-13,17H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185444
PNG
(CHEMBL3822876)
Show SMILES Fc1ccccc1-n1cc(cn1)-c1ccncc1OCC1CCNCC1
Show InChI InChI=1S/C20H21FN4O/c21-18-3-1-2-4-19(18)25-13-16(11-24-25)17-7-10-23-12-20(17)26-14-15-5-8-22-9-6-15/h1-4,7,10-13,15,22H,5-6,8-9,14H2
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n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185438
PNG
(CHEMBL3824157)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCc1ccncc1
Show InChI InChI=1S/C25H26N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-11,16-18H,12-15,19H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185445
PNG
(CHEMBL3824074)
Show SMILES C(Oc1cnccc1-c1cnn(c1)-c1ccccc1)C1CCNCC1
Show InChI InChI=1S/C20H22N4O/c1-2-4-18(5-3-1)24-14-17(12-23-24)19-8-11-22-13-20(19)25-15-16-6-9-21-10-7-16/h1-5,8,11-14,16,21H,6-7,9-10,15H2
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n/an/a 36n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185439
PNG
(CHEMBL3823975)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OC[C@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C26H34N6O/c1-30-12-14-31(15-13-30)23-6-8-24(9-7-23)32-18-21(16-29-32)25-10-11-28-17-26(25)33-19-20-2-4-22(27)5-3-20/h6-11,16-18,20,22H,2-5,12-15,19,27H2,1H3/t20-,22-
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n/an/a 57n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185448
PNG
(CHEMBL3823633)
Show SMILES COc1cnccc1-c1cnn(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C20H23N5O/c1-23-9-11-24(12-10-23)17-3-5-18(6-4-17)25-15-16(13-22-25)19-7-8-21-14-20(19)26-2/h3-8,13-15H,9-12H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185441
PNG
(CHEMBL3824174)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1F
Show InChI InChI=1S/C19H20FN5/c1-23-8-10-24(11-9-23)16-2-4-17(5-3-16)25-14-15(12-22-25)18-6-7-21-13-19(18)20/h2-7,12-14H,8-11H2,1H3
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n/an/a 70n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185440
PNG
(CHEMBL3823597)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1
Show InChI InChI=1S/C19H21N5/c1-22-10-12-23(13-11-22)18-2-4-19(5-3-18)24-15-17(14-21-24)16-6-8-20-9-7-16/h2-9,14-15H,10-13H2,1H3
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185433
PNG
(CHEMBL3824068)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1
Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3
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n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185436
PNG
(CHEMBL3823874)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OC1CCCCC1
Show InChI InChI=1S/C25H31N5O/c1-28-13-15-29(16-14-28)21-7-9-22(10-8-21)30-19-20(17-27-30)24-11-12-26-18-25(24)31-23-5-3-2-4-6-23/h7-12,17-19,23H,2-6,13-16H2,1H3
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n/an/a 150n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50185433
PNG
(CHEMBL3824068)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1
Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3
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n/an/a 180n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of partial-length human FLT3 ITD mutant expressed in bacterial expression system by KINOMEscan assay


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185442
PNG
(CHEMBL3823306)
Show SMILES O=C(NCc1ccccn1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1
Show InChI InChI=1S/C21H17N5O/c27-21(24-14-19-3-1-2-10-23-19)17-4-6-20(7-5-17)26-15-18(13-25-26)16-8-11-22-12-9-16/h1-13,15H,14H2,(H,24,27)
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n/an/a 180n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase haspin


(Homo sapiens (Human))
BDBM50185433
PNG
(CHEMBL3824068)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1
Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of partial-length human wild type HASPIN expressed in mammalian expression system by KINOMEscan assay


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185434
PNG
(CHEMBL3823302)
Show SMILES C(Oc1cnccc1-c1cnn(c1)-c1ccc(cc1)N1CCOCC1)C1CCNCC1
Show InChI InChI=1S/C24H29N5O2/c1-3-22(4-2-21(1)28-11-13-30-14-12-28)29-17-20(15-27-29)23-7-10-26-16-24(23)31-18-19-5-8-25-9-6-19/h1-4,7,10,15-17,19,25H,5-6,8-9,11-14,18H2
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n/an/a 210n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185437
PNG
(CHEMBL3822465)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OC1CCNCC1
Show InChI InChI=1S/C24H30N6O/c1-28-12-14-29(15-13-28)20-2-4-21(5-3-20)30-18-19(16-27-30)23-8-11-26-17-24(23)31-22-6-9-25-10-7-22/h2-5,8,11,16-18,22,25H,6-7,9-10,12-15H2,1H3
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n/an/a 260n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185477
PNG
(CHEMBL3823920)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(cn1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O2S/c1-21(19,20)15-4-2-14(3-5-15)18-11-13(10-17-18)12-6-8-16-9-7-12/h2-11H,1H3
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n/an/a 400n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185435
PNG
(CHEMBL3823918)
Show SMILES CC(C)COc1cnccc1-c1cnn(c1)-c1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H29N5O/c1-18(2)17-29-23-15-24-9-8-22(23)19-14-25-28(16-19)21-6-4-20(5-7-21)27-12-10-26(3)11-13-27/h4-9,14-16,18H,10-13,17H2,1-3H3
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n/an/a 410n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50185433
PNG
(CHEMBL3824068)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1
Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3
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n/an/a 420n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of partial-length human wild type PDGFR-alpha expressed in mammalian expression system by KINOMEscan assay


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185475
PNG
(CHEMBL3824280)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(cn1)-c1ccc(O)cc1
Show InChI InChI=1S/C16H14N2O3S/c1-22(20,21)16-8-4-14(5-9-16)18-11-13(10-17-18)12-2-6-15(19)7-3-12/h2-11,19H,1H3
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n/an/a 520n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185478
PNG
(CHEMBL3824282)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H22N4/c1-23-11-13-24(14-12-23)18-9-7-17(8-10-18)20-15-19(21-22-20)16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3,(H,21,22)
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n/an/a 670n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185438
PNG
(CHEMBL3824157)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCc1ccncc1
Show InChI InChI=1S/C25H26N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-11,16-18H,12-15,19H2,1H3
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n/an/a 1.44E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185441
PNG
(CHEMBL3824174)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1F
Show InChI InChI=1S/C19H20FN5/c1-23-8-10-24(11-9-23)16-2-4-17(5-3-16)25-14-15(12-22-25)18-6-7-21-13-19(18)20/h2-7,12-14H,8-11H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50185442
PNG
(CHEMBL3823306)
Show SMILES O=C(NCc1ccccn1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1
Show InChI InChI=1S/C21H17N5O/c27-21(24-14-19-3-1-2-10-23-19)17-4-6-20(7-5-17)26-15-18(13-25-26)16-8-11-22-12-9-16/h1-13,15H,14H2,(H,24,27)
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n/an/a<5.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin)


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185440
PNG
(CHEMBL3823597)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1
Show InChI InChI=1S/C19H21N5/c1-22-10-12-23(13-11-22)18-2-4-19(5-3-18)24-15-17(14-21-24)16-6-8-20-9-7-16/h2-9,14-15H,10-13H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50185442
PNG
(CHEMBL3823306)
Show SMILES O=C(NCc1ccccn1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1
Show InChI InChI=1S/C21H17N5O/c27-21(24-14-19-3-1-2-10-23-19)17-4-6-20(7-5-17)26-15-18(13-25-26)16-8-11-22-12-9-16/h1-13,15H,14H2,(H,24,27)
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n/an/a<5.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50185442
PNG
(CHEMBL3823306)
Show SMILES O=C(NCc1ccccn1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1
Show InChI InChI=1S/C21H17N5O/c27-21(24-14-19-3-1-2-10-23-19)17-4-6-20(7-5-17)26-15-18(13-25-26)16-8-11-22-12-9-16/h1-13,15H,14H2,(H,24,27)
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n/an/a<5.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-alpha (unknown origin)


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50185433
PNG
(CHEMBL3824068)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1OCC1CCNCC1
Show InChI InChI=1S/C25H32N6O/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of partial-length human KIT A829P mutant expressed in mammalian expression system by KINOMEscan assay


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185442
PNG
(CHEMBL3823306)
Show SMILES O=C(NCc1ccccn1)c1ccc(cc1)-n1cc(cn1)-c1ccncc1
Show InChI InChI=1S/C21H17N5O/c27-21(24-14-19-3-1-2-10-23-19)17-4-6-20(7-5-17)26-15-18(13-25-26)16-8-11-22-12-9-16/h1-13,15H,14H2,(H,24,27)
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n/an/a 1.88E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM50185476
PNG
(CHEMBL3822777)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(cn1)-c1ccccc1
Show InChI InChI=1S/C16H14N2O2S/c1-21(19,20)16-9-7-15(8-10-16)18-12-14(11-17-18)13-5-3-2-4-6-13/h2-12H,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of MELK catalytic domain (unknown origin) preincubated for 20 mins followed by addition of KinEASE STK S1 peptide as substrate in presence...


J Med Chem 59: 4711-23 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00052
BindingDB Entry DOI: 10.7270/Q2MK6FTG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%