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Compile Data Set for Download or QSAR

Found 187 hits with Last Name = 'kwarcinski' and Initial = 'f'   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119568
PNG
(CHEMBL3617738)
Show SMILES O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r|
Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/m1/s1
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70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119569
PNG
(CHEMBL3617733)
Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)CCSCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1S/C33H39N9O2S/c1-41-16-17-42(28(22-41)24-6-3-2-4-7-24)32(44)14-19-45-18-13-31(43)35-25-8-5-9-26(20-25)36-33-34-15-12-29(38-33)37-30-21-27(39-40-30)23-10-11-23/h2-9,12,15,20-21,23,28H,10-11,13-14,16-19,22H2,1H3,(H,35,43)(H3,34,36,37,38,39,40)
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90n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119569
PNG
(CHEMBL3617733)
Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)CCSCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1S/C33H39N9O2S/c1-41-16-17-42(28(22-41)24-6-3-2-4-7-24)32(44)14-19-45-18-13-31(43)35-25-8-5-9-26(20-25)36-33-34-15-12-29(38-33)37-30-21-27(39-40-30)23-10-11-23/h2-9,12,15,20-21,23,28H,10-11,13-14,16-19,22H2,1H3,(H,35,43)(H3,34,36,37,38,39,40)
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120n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src C277S, C483S, S496S mutant (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119567
PNG
(CHEMBL3617740)
Show SMILES C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 |r|
Show InChI InChI=1S/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)/t19-/m1/s1
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130n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119578
PNG
(CHEMBL3617734)
Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1S/C34H41N9O2/c1-42-19-20-43(29(23-42)25-9-4-2-5-10-25)33(45)14-7-3-6-13-32(44)36-26-11-8-12-27(21-26)37-34-35-18-17-30(39-34)38-31-22-28(40-41-31)24-15-16-24/h2,4-5,8-12,17-18,21-22,24,29H,3,6-7,13-16,19-20,23H2,1H3,(H,36,44)(H3,35,37,38,39,40,41)
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140n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119570
PNG
(CHEMBL3617731)
Show SMILES SCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1S/C19H21N7OS/c27-18(7-9-28)21-13-2-1-3-14(10-13)22-19-20-8-6-16(24-19)23-17-11-15(25-26-17)12-4-5-12/h1-3,6,8,10-12,28H,4-5,7,9H2,(H,21,27)(H3,20,22,23,24,25,26)
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200n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src C277S, C483S, S496S mutant (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119576
PNG
(CHEMBL3617736)
Show SMILES CC(NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1
Show InChI InChI=1S/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)
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230n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119568
PNG
(CHEMBL3617738)
Show SMILES O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r|
Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/m1/s1
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260n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src E280G mutant (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119575
PNG
(CHEMBL3617737)
Show SMILES O=C(CCCCCC(=O)N1CCC[C@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r|
Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/m0/s1
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330n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119579
PNG
(CHEMBL3617730)
Show SMILES CC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1S/C18H19N7O/c1-11(26)20-13-3-2-4-14(9-13)21-18-19-8-7-16(23-18)22-17-10-15(24-25-17)12-5-6-12/h2-4,7-10,12H,5-6H2,1H3,(H,20,26)(H3,19,21,22,23,24,25)
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360n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119574
PNG
(CHEMBL3617739)
Show SMILES C[C@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 |r|
Show InChI InChI=1S/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)/t19-/m0/s1
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370n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119566
PNG
(CHEMBL3617732)
Show SMILES CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1S/C20H23N7O/c1-2-4-19(28)22-14-5-3-6-15(11-14)23-20-21-10-9-17(25-20)24-18-12-16(26-27-18)13-7-8-13/h3,5-6,9-13H,2,4,7-8H2,1H3,(H,22,28)(H3,21,23,24,25,26,27)
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400n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50119566
PNG
(CHEMBL3617732)
Show SMILES CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1S/C20H23N7O/c1-2-4-19(28)22-14-5-3-6-15(11-14)23-20-21-10-9-17(25-20)24-18-12-16(26-27-18)13-7-8-13/h3,5-6,9-13H,2,4,7-8H2,1H3,(H,22,28)(H3,21,23,24,25,26,27)
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470n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Yes (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119577
PNG
(CHEMBL3617735)
Show SMILES O=C(CCCCCC(=O)N1CCCC1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)
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480n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50119568
PNG
(CHEMBL3617738)
Show SMILES O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r|
Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/m1/s1
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610n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Yes (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50119568
PNG
(CHEMBL3617738)
Show SMILES O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r|
Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/m1/s1
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730n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Hck (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50119568
PNG
(CHEMBL3617738)
Show SMILES O=C(CCCCCC(=O)N1CCC[C@@H]1c1ccco1)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1 |r|
Show InChI InChI=1S/C31H36N8O3/c40-29(11-2-1-3-12-30(41)39-17-5-9-25(39)26-10-6-18-42-26)33-22-7-4-8-23(19-22)34-31-32-16-15-27(36-31)35-28-20-24(37-38-28)21-13-14-21/h4,6-8,10,15-16,18-21,25H,1-3,5,9,11-14,17H2,(H,33,40)(H3,32,34,35,36,37,38)/t25-/m1/s1
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730n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Abl (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50119567
PNG
(CHEMBL3617740)
Show SMILES C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 |r|
Show InChI InChI=1S/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)/t19-/m1/s1
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800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Yes (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50119566
PNG
(CHEMBL3617732)
Show SMILES CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1S/C20H23N7O/c1-2-4-19(28)22-14-5-3-6-15(11-14)23-20-21-10-9-17(25-20)24-18-12-16(26-27-18)13-7-8-13/h3,5-6,9-13H,2,4,7-8H2,1H3,(H,22,28)(H3,21,23,24,25,26,27)
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980n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Hck (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50119566
PNG
(CHEMBL3617732)
Show SMILES CCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1
Show InChI InChI=1S/C20H23N7O/c1-2-4-19(28)22-14-5-3-6-15(11-14)23-20-21-10-9-17(25-20)24-18-12-16(26-27-18)13-7-8-13/h3,5-6,9-13H,2,4,7-8H2,1H3,(H,22,28)(H3,21,23,24,25,26,27)
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980n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Abl (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50119567
PNG
(CHEMBL3617740)
Show SMILES C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 |r|
Show InChI InChI=1S/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)/t19-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Hck (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50119567
PNG
(CHEMBL3617740)
Show SMILES C[C@@H](NC(=O)CCCCCC(=O)Nc1cccc(Nc2nccc(Nc3cc([nH]n3)C3CC3)n2)c1)c1ccco1 |r|
Show InChI InChI=1S/C29H34N8O3/c1-19(24-9-6-16-40-24)31-27(38)10-3-2-4-11-28(39)32-21-7-5-8-22(17-21)33-29-30-15-14-25(35-29)34-26-18-23(36-37-26)20-12-13-20/h5-9,14-20H,2-4,10-13H2,1H3,(H,31,38)(H,32,39)(H3,30,33,34,35,36,37)/t19-/m1/s1
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1.20E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Abl (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50119571
PNG
(CHEMBL3617729)
Show SMILES C=CC(=O)N1CCCC1c1ccco1
Show InChI InChI=1S/C11H13NO2/c1-2-11(13)12-7-3-5-9(12)10-6-4-8-14-10/h2,4,6,8-9H,1,3,5,7H2
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1.60E+5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Src C277S, C483S, S496S mutant (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50119571
PNG
(CHEMBL3617729)
Show SMILES C=CC(=O)N1CCCC1c1ccco1
Show InChI InChI=1S/C11H13NO2/c1-2-11(13)12-7-3-5-9(12)10-6-4-8-14-10/h2,4,6,8-9H,1,3,5,7H2
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>1.25E+6n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of c-Abl (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50119571
PNG
(CHEMBL3617729)
Show SMILES C=CC(=O)N1CCCC1c1ccco1
Show InChI InChI=1S/C11H13NO2/c1-2-11(13)12-7-3-5-9(12)10-6-4-8-14-10/h2,4,6,8-9H,1,3,5,7H2
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>1.25E+6n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Hck (unknown origin)


ACS Med Chem Lett 6: 898-901 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00167
BindingDB Entry DOI: 10.7270/Q2833TTZ
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50589997
PNG
(CHEMBL5208060)
Show SMILES COc1ccc2cc(oc2c1)C(=O)c1ccc(cc1)C#N
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n/an/a 0.490n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50589997
PNG
(CHEMBL5208060)
Show SMILES COc1ccc2cc(oc2c1)C(=O)c1ccc(cc1)C#N
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n/an/a 0.490n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Calcium-dependent protein kinase 1


(Plasmodium Falciparum)
BDBM36336
PNG
(CID24762166 | Purfalcamine, 1)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)C(=O)N2CCCCC2)c2ncn(-c3cccc(F)c3)c2n1 |r,wU:4.7,wD:1.0,(-8.67,.31,;-7.34,-.46,;-7.34,-2,;-6,-2.77,;-4.67,-2,;-4.67,-.46,;-6,.31,;-3.33,-2.77,;-2,-2,;-2,-.46,;-.67,.31,;-.67,1.85,;.67,2.62,;2,1.85,;3.33,2.62,;3.33,4.16,;2,4.93,;.67,4.16,;4.67,4.93,;4.67,6.47,;6,4.16,;6,2.62,;7.34,1.85,;8.67,2.62,;8.67,4.16,;7.34,4.93,;.67,-.46,;2.13,.02,;3.04,-1.23,;2.13,-2.47,;2.9,-3.81,;2.13,-5.14,;2.9,-6.47,;4.44,-6.47,;5.21,-5.14,;6.75,-5.14,;4.44,-3.81,;.67,-2,;-.67,-2.77,)|
Show InChI InChI=1S/C29H33FN8O/c30-20-5-4-6-24(17-20)38-18-32-25-26(35-29(36-27(25)38)34-23-13-9-21(31)10-14-23)33-22-11-7-19(8-12-22)28(39)37-15-2-1-3-16-37/h4-8,11-12,17-18,21,23H,1-3,9-10,13-16,31H2,(H2,33,34,35,36)/t21-,23-
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n/an/a 2.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559236
PNG
(CHEMBL4796519)
Show SMILES C[S+]([O-])c1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559235
PNG
(CHEMBL4760126)
Show SMILES CC(=O)c1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
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n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559233
PNG
(CHEMBL4753926)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)N1CCOCC1
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559225
PNG
(CHEMBL4763132)
Show SMILES COc1ccc(cc1F)-c1cc2ncnc(SCC(O)=O)c2s1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50354565
PNG
(CHEMBL1836719)
Show SMILES CSc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C15H12N2O2S3/c1-20-10-4-2-9(3-5-10)12-6-11-14(22-12)15(17-8-16-11)21-7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19)
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50259155
PNG
((Z)-Hymenialdisine | Hymenialdisine)
Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
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n/an/a 23n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Glycogen synthase kinase 3


(Plasmodium falciparum (isolate 3D7))
BDBM50259155
PNG
((Z)-Hymenialdisine | Hymenialdisine)
Show SMILES NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)/b7-4-
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n/an/a 23n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL




Bioorg Med Chem Lett 15: 1333-6 (2005)


Article DOI: 10.1021/acs.jmedchem.2c00996
BindingDB Entry DOI: 10.7270/Q2445RF2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50354559
PNG
(CHEMBL1836724)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
Show InChI InChI=1S/C16H13N3O3S2/c1-9(20)19-11-4-2-10(3-5-11)13-6-12-15(24-13)16(18-8-17-12)23-7-14(21)22/h2-6,8H,7H2,1H3,(H,19,20)(H,21,22)
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559226
PNG
(CHEMBL4754748)
Show SMILES CSc1ccc(cc1F)-c1cc2ncnc(SCC(O)=O)c2s1
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n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559243
PNG
(CHEMBL4794509)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(C=C)cc1
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559224
PNG
(CHEMBL4788024)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)C(F)(F)F
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559222
PNG
(CHEMBL4752776)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1cc2ccccc2s1
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559222
PNG
(CHEMBL4752776)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1cc2ccccc2s1
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human STK17B in presence of ATP at Km level


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50354540
PNG
(CHEMBL1836717)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H9N3O2S2/c16-6-9-1-3-10(4-2-9)12-5-11-14(22-12)15(18-8-17-11)21-7-13(19)20/h1-5,8H,7H2,(H,19,20)
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559237
PNG
(CHEMBL4747753)
Show SMILES CC(=O)Nc1cccc(c1)-c1cc2ncnc(SCC(O)=O)c2s1
PDB

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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559232
PNG
(CHEMBL4740090)
Show SMILES CC(=O)c1ccc(cn1)-c1cc2ncnc(SCC(O)=O)c2s1
PDB

UniProtKB/SwissProt

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n/an/a 37n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50354541
PNG
(CHEMBL1836714)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H9ClN2O2S2/c15-9-3-1-8(2-4-9)11-5-10-13(21-11)14(17-7-16-10)20-6-12(18)19/h1-5,7H,6H2,(H,18,19)
PDB

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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559230
PNG
(CHEMBL4783516)
Show SMILES CCOC(=O)c1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
PDB

UniProtKB/SwissProt

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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559244
PNG
(CHEMBL4753625)
Show SMILES CCc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
PDB

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n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559229
PNG
(CHEMBL4745018)
Show SMILES OC(=O)CSc1ncnc2cc(sc12)-c1cccc(F)c1
PDB

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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559247
PNG
(CHEMBL4789685)
Show SMILES CSc1cccc(c1)-c1cc2ncnc(SCC(O)=O)c2s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
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UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 17B


(Homo sapiens (Human))
BDBM50559245
PNG
(CHEMBL4740604)
Show SMILES CC(C)Sc1ccc(cc1)-c1cc2ncnc(SCC(O)=O)c2s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal His-tagged STK17B kinase domain (25 to 329 residues) (unknown origin) expressed in Escherichia coli incubated for 90 mins by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01174
BindingDB Entry DOI: 10.7270/Q2DB85J2
More data for this
Ligand-Target Pair
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