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Compile Data Set for Download or QSAR

Found 9 hits of ki for UniProtKB: P07947   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50376901
PNG
(CHEMBL256101 | TG-100855)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCC[N+]4([O-])CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O2/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)35-14-13-33(34)11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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5.97n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Yes by luminescence based kinase assay


Drug Metab Dispos 35: 929-36 (2007)


Article DOI: 10.1124/dmd.106.014290
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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12.9n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Yes by luminescence based kinase assay


Drug Metab Dispos 35: 929-36 (2007)


Article DOI: 10.1124/dmd.106.014290
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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12.9n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Yes kinase


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50343938
PNG
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
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24n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of Yes


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50206819
PNG
(CHEMBL3893914)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccc(C)nc3)n2)n[nH]1
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79n/an/an/an/an/an/an/an/a



CXS Corporation

Curated by ChEMBL


Assay Description
Inhibition of YES (unknown origin)


Bioorg Med Chem Lett 26: 5860-5862 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.020
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)

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=1/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-/s2
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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)

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=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50341519
PNG
((S)-3-(4-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl...)
Show SMILES CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Show InChI InChI=1S/C26H31N7O2/c1-27-24-16-28-15-23(30-24)19-13-22(26(35)29-14-19)31-25(34)18-6-8-20(9-7-18)33-12-4-5-21(33)17-32-10-2-3-11-32/h6-9,13-16,21H,2-5,10-12,17H2,1H3,(H,27,30)(H,29,35)(H,31,34)/t21-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals (Europe) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of YES


J Med Chem 54: 2341-50 (2011)


Article DOI: 10.1021/jm101499u
More data for this
Ligand-Target Pair