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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'scherer' and Initial = 'ca'   
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
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400690
PNG
(CHEMBL2203524)
Show SMILES COc1ccc(cc1)-n1ncc2ccc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)nc12
Show InChI InChI=1S/C25H28N6O2/c1-29-12-14-30(15-13-29)22-10-5-19(16-23(22)33-3)27-24-11-4-18-17-26-31(25(18)28-24)20-6-8-21(32-2)9-7-20/h4-11,16-17H,12-15H2,1-3H3,(H,27,28)
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400689
PNG
(CHEMBL2203525)
Show SMILES CC(=O)NC[C@@H]1C[C@H](CN1)NS(=O)(=O)c1cccc2cncc(C)c12 |r|
Show InChI InChI=1S/C17H22N4O3S/c1-11-7-18-8-13-4-3-5-16(17(11)13)25(23,24)21-15-6-14(20-10-15)9-19-12(2)22/h3-5,7-8,14-15,20-21H,6,9-10H2,1-2H3,(H,19,22)/t14-,15+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400664
PNG
(CHEMBL2204239)
Show SMILES CC(C)c1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H19N3O2S/c1-13(2)14-9-10-16(24-21(26)19-8-5-11-28-19)15(12-14)20-22(27)25-18-7-4-3-6-17(18)23-20/h3-13H,1-2H3,(H,24,26)(H,25,27)
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n/an/a 14n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400684
PNG
(CHEMBL2203528)
Show SMILES O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccccn1
Show InChI InChI=1S/C20H14N4O2/c25-19(17-11-5-6-12-21-17)23-14-8-2-1-7-13(14)18-20(26)24-16-10-4-3-9-15(16)22-18/h1-12H,(H,23,25)(H,24,26)
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n/an/a 76n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400662
PNG
(CHEMBL2204241)
Show SMILES Fc1ccc(c(NC(=O)c2cccs2)c1)-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C19H12FN3O2S/c20-11-7-8-12(15(10-11)23-18(24)16-6-3-9-26-16)17-19(25)22-14-5-2-1-4-13(14)21-17/h1-10H,(H,22,25)(H,23,24)
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n/an/a 78n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400665
PNG
(CHEMBL2204238)
Show SMILES FC(F)(F)Oc1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H12F3N3O3S/c21-20(22,23)29-11-7-8-13(25-18(27)16-6-3-9-30-16)12(10-11)17-19(28)26-15-5-2-1-4-14(15)24-17/h1-10H,(H,25,27)(H,26,28)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400682
PNG
(CHEMBL2203530)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H14FN3O2/c22-14-11-9-13(10-12-14)20(26)24-16-6-2-1-5-15(16)19-21(27)25-18-8-4-3-7-17(18)23-19/h1-12H,(H,24,26)(H,25,27)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400668
PNG
(CHEMBL2204235)
Show SMILES Clc1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C19H12ClN3O2S/c20-11-7-8-13(22-18(24)16-6-3-9-26-16)12(10-11)17-19(25)23-15-5-2-1-4-14(15)21-17/h1-10H,(H,22,24)(H,23,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400687
PNG
(CHEMBL1992679)
Show SMILES O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1ccccc1
Show InChI InChI=1S/C21H15N3O2/c25-20(14-8-2-1-3-9-14)23-16-11-5-4-10-15(16)19-21(26)24-18-13-7-6-12-17(18)22-19/h1-13H,(H,23,25)(H,24,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400666
PNG
(CHEMBL2204237)
Show SMILES COc1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H15N3O3S/c1-26-12-8-9-14(22-19(24)17-7-4-10-27-17)13(11-12)18-20(25)23-16-6-3-2-5-15(16)21-18/h2-11H,1H3,(H,22,24)(H,23,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400663
PNG
(CHEMBL2204240)
Show SMILES Clc1ccc(c(NC(=O)c2cccs2)c1)-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C19H12ClN3O2S/c20-11-7-8-12(15(10-11)23-18(24)16-6-3-9-26-16)17-19(25)22-14-5-2-1-4-13(14)21-17/h1-10H,(H,22,25)(H,23,24)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM67675
PNG
(CHEMBL1543343 | MLS001221673 | N-[2-(3-keto-4H-qui...)
Show SMILES O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cccs1
Show InChI InChI=1S/C19H13N3O2S/c23-18(16-10-5-11-25-16)21-13-7-2-1-6-12(13)17-19(24)22-15-9-4-3-8-14(15)20-17/h1-11H,(H,21,23)(H,22,24)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400681
PNG
(CHEMBL2203531)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C21H14ClN3O2/c22-14-11-9-13(10-12-14)20(26)24-16-6-2-1-5-15(16)19-21(27)25-18-8-4-3-7-17(18)23-19/h1-12H,(H,24,26)(H,25,27)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400686
PNG
(CHEMBL2203526)
Show SMILES Clc1ccc(s1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C19H12ClN3O2S/c20-16-10-9-15(26-16)18(24)22-12-6-2-1-5-11(12)17-19(25)23-14-8-4-3-7-13(14)21-17/h1-10H,(H,22,24)(H,23,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400667
PNG
(CHEMBL2204236)
Show SMILES Fc1ccc(NC(=O)c2cccs2)c(c1)-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C19H12FN3O2S/c20-11-7-8-13(22-18(24)16-6-3-9-26-16)12(10-11)17-19(25)23-15-5-2-1-4-14(15)21-17/h1-10H,(H,22,24)(H,23,25)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400685
PNG
(CHEMBL2203527)
Show SMILES O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1nccs1
Show InChI InChI=1S/C18H12N4O2S/c23-16-15(20-13-7-3-4-8-14(13)22-16)11-5-1-2-6-12(11)21-17(24)18-19-9-10-25-18/h1-10H,(H,21,24)(H,22,23)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400683
PNG
(CHEMBL2203529)
Show SMILES O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)c1cccnc1
Show InChI InChI=1S/C20H14N4O2/c25-19(13-6-5-11-21-12-13)23-15-8-2-1-7-14(15)18-20(26)24-17-10-4-3-9-16(17)22-18/h1-12H,(H,23,25)(H,24,26)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400680
PNG
(CHEMBL2203532)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H17N3O3/c1-28-15-12-10-14(11-13-15)21(26)24-17-7-3-2-6-16(17)20-22(27)25-19-9-5-4-8-18(19)23-20/h2-13H,1H3,(H,24,26)(H,25,27)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400676
PNG
(CHEMBL2203536)
Show SMILES O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1ccccn1
Show InChI InChI=1S/C20H16N4O/c25-20-19(23-17-10-3-4-11-18(17)24-20)15-8-1-2-9-16(15)22-13-14-7-5-6-12-21-14/h1-12,22H,13H2,(H,24,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400670
PNG
(CHEMBL2204233)
Show SMILES Fc1cc2nc(-c3ccccc3NC(=O)c3cccs3)c(=O)[nH]c2cc1F
Show InChI InChI=1S/C19H11F2N3O2S/c20-11-8-14-15(9-12(11)21)24-19(26)17(22-14)10-4-1-2-5-13(10)23-18(25)16-6-3-7-27-16/h1-9H,(H,23,25)(H,24,26)
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400669
PNG
(CHEMBL2204234)
Show SMILES Cc1cc2nc(-c3ccccc3NC(=O)c3cccs3)c(=O)[nH]c2cc1C
Show InChI InChI=1S/C21H17N3O2S/c1-12-10-16-17(11-13(12)2)24-21(26)19(22-16)14-6-3-4-7-15(14)23-20(25)18-8-5-9-27-18/h3-11H,1-2H3,(H,23,25)(H,24,26)
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400671
PNG
(CHEMBL2204232)
Show SMILES Clc1cc2nc(-c3ccccc3NC(=O)c3cccs3)c(=O)[nH]c2cc1Cl
Show InChI InChI=1S/C19H11Cl2N3O2S/c20-11-8-14-15(9-12(11)21)24-19(26)17(22-14)10-4-1-2-5-13(10)23-18(25)16-6-3-7-27-16/h1-9H,(H,23,25)(H,24,26)
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400672
PNG
(CHEMBL2204231)
Show SMILES O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H15N3O3S/c24-20-19(21-17-12-6-7-13-18(17)22-20)15-10-4-5-11-16(15)23-27(25,26)14-8-2-1-3-9-14/h1-13,23H,(H,22,24)
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n/an/a 7.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400679
PNG
(CHEMBL2203533)
Show SMILES O=C(Nc1ccccc1-c1nc2ccccc2[nH]c1=O)C1CCCCC1
Show InChI InChI=1S/C21H21N3O2/c25-20(14-8-2-1-3-9-14)23-16-11-5-4-10-15(16)19-21(26)24-18-13-7-6-12-17(18)22-19/h4-7,10-14H,1-3,8-9H2,(H,23,25)(H,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400678
PNG
(CHEMBL2203534)
Show SMILES O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1cccs1
Show InChI InChI=1S/C19H15N3OS/c23-19-18(21-16-9-3-4-10-17(16)22-19)14-7-1-2-8-15(14)20-12-13-6-5-11-24-13/h1-11,20H,12H2,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400675
PNG
(CHEMBL2204228)
Show SMILES Fc1ccc(CNc2ccccc2-c2nc3ccccc3[nH]c2=O)cc1
Show InChI InChI=1S/C21H16FN3O/c22-15-11-9-14(10-12-15)13-23-17-6-2-1-5-16(17)20-21(26)25-19-8-4-3-7-18(19)24-20/h1-12,23H,13H2,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400674
PNG
(CHEMBL2204229)
Show SMILES O=c1[nH]c2ccccc2nc1-c1ccccc1NCC1CC1
Show InChI InChI=1S/C18H17N3O/c22-18-17(20-15-7-3-4-8-16(15)21-18)13-5-1-2-6-14(13)19-11-12-9-10-12/h1-8,12,19H,9-11H2,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400673
PNG
(CHEMBL2204230)
Show SMILES O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1cccs1
Show InChI InChI=1S/C18H13N3O3S2/c22-18-17(19-14-8-3-4-9-15(14)20-18)12-6-1-2-7-13(12)21-26(23,24)16-10-5-11-25-16/h1-11,21H,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50400677
PNG
(CHEMBL2203535)
Show SMILES O=c1[nH]c2ccccc2nc1-c1ccccc1NCc1ccccc1
Show InChI InChI=1S/C21H17N3O/c25-21-20(23-18-12-6-7-13-19(18)24-21)16-10-4-5-11-17(16)22-14-15-8-2-1-3-9-15/h1-13,22H,14H2,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6His-tagged full length human recombinant STK33 using myelin basic protein as substrate incubated for 15 mins before initiat...


ACS Med Chem Lett 3: 1034-1038 (2012)


Article DOI: 10.1021/ml300246r
BindingDB Entry DOI: 10.7270/Q2PK0H9X
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50231826
PNG
(CHEMBL2362347)
Show SMILES CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C23H22FN3O2/c1-2-12-26-23(29)27-20(14-25)22(21(27)15-28)18-10-8-16(9-11-18)6-7-17-4-3-5-19(24)13-17/h3-5,8-11,13,20-22,28H,2,12,15H2,1H3,(H,26,29)/t20-,21-,22+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH


ACS Med Chem Lett 8: 438-442 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00030
BindingDB Entry DOI: 10.7270/Q2668GDR
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM50231827
PNG
(CHEMBL4064731)
Show SMILES CCCNC(=O)N1[C@H](CO)[C@H]([C@H]1C#N)c1ccc(cc1)-c1ccc(c(c1)C(F)(F)F)C(F)(F)F |r|
Show InChI InChI=1S/C23H21F6N3O2/c1-2-9-31-21(34)32-18(11-30)20(19(32)12-33)14-5-3-13(4-6-14)15-7-8-16(22(24,25)26)17(10-15)23(27,28)29/h3-8,10,18-20,33H,2,9,12H2,1H3,(H,31,34)/t18-,19-,20+/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DHODH


ACS Med Chem Lett 8: 438-442 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00030
BindingDB Entry DOI: 10.7270/Q2668GDR
More data for this
Ligand-Target Pair