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Compile Data Set for Download or QSAR

Found 385 hits with Last Name = 'thomas' and Initial = 'k'   
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
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.00200n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate assessed as inhibition...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli)
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.0480n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate by xanthine oxidase co...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50247151
PNG
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1
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0.0700n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex ...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.0780n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of human MTAP using methylthioadenosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50247151
PNG
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PNP using inosine as substrate by xanthine oxidase coupling enzyme assay


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM22113
PNG
((3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-y...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |r|
Show InChI InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
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0.530n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of human MTAP using methylthioadenosine as substrate by xanthine oxidase coupling enzyme assay


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50247151
PNG
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-in...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase


(Escherichia coli)
BDBM50116357
PNG
(CHEMBL3604360)
Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@H]1O |r|
Show InChI InChI=1/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/s2
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4.5n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Escherichia coli MTAN expressed in Escherichia coli BL-21 DE3 using methylthioadenosine as substrate by xanthine oxidase co...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50247151
PNG
(7-(((3R,4S)-3-hydroxy-4-(methylthiomethyl)pyrrolid...)
Show SMILES CSC[C@H]1CN(Cc2c[nH]c3c2nc[nH]c3=O)C[C@@H]1O |r|
Show InChI InChI=1S/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/m1/s1
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11n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate by xanthine oxidase coupling enzyme assay


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50116358
PNG
(CHEMBL3604359)
Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(O)ncnc23)C[C@H]1O |r|
Show InChI InChI=1/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/s2
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84n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-inhibitor complex ...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50116358
PNG
(CHEMBL3604359)
Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(O)ncnc23)C[C@H]1O |r|
Show InChI InChI=1/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/s2
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93n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate assessed as inhibition constant for slow onset inhibition of enzyme-in...


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50116358
PNG
(CHEMBL3604359)
Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(O)ncnc23)C[C@H]1O |r|
Show InChI InChI=1/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/s2
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110n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PNP using inosine as substrate by xanthine oxidase coupling enzyme assay


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Purine Nucleoside Phosphorylase (PNP)


(Plasmodium falciparum)
BDBM50116358
PNG
(CHEMBL3604359)
Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(O)ncnc23)C[C@H]1O |r|
Show InChI InChI=1/C13H18N4O2S/c1-20-6-9-4-17(5-10(9)18)3-8-2-14-12-11(8)15-7-16-13(12)19/h2,7,9-10,14,18H,3-6H2,1H3,(H,15,16,19)/t9-,10+/s2
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298n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of recombinant Plasmodium falciparum PNP using inosine as substrate by xanthine oxidase coupling enzyme assay


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Methylthioadenosine Phosphorylase (MTAP)


(Homo sapiens (Human))
BDBM50116357
PNG
(CHEMBL3604360)
Show SMILES CSC[C@@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@H]1O |r|
Show InChI InChI=1/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/s2
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750n/an/an/an/an/an/an/an/a



Victoria University of Wellington

Curated by ChEMBL


Assay Description
Inhibition of human MTAP using methylthioadenosine as substrate by xanthine oxidase coupling enzyme assay


Bioorg Med Chem 23: 5326-33 (2015)


BindingDB Entry DOI: 10.7270/Q2HX1FF5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM31826
PNG
(4-aminoquinazoline, 2a | BMC163482 Compound 3 | CH...)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C17H15BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h3-10H,2H2,1H3,(H,21,23)(H,19,20,22)
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n/an/a 0.100n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR by HTRF assay


J Med Chem 53: 2892-901 (2010)


Article DOI: 10.1021/jm901877j
BindingDB Entry DOI: 10.7270/Q2T43T7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 0.200n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR by HTRF assay


J Med Chem 53: 2892-901 (2010)


Article DOI: 10.1021/jm901877j
BindingDB Entry DOI: 10.7270/Q2T43T7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 0.900n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) prein...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM153732
PNG
(K252a)
Show SMILES [H]C12C[C@@](O)(C(=O)OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |TLB:13:12:11:3.2,19:35:11:3.2,THB:4:3:11:12.33.35.34,32:33:11:3.2,26:34:11:3.2|
Show InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18?,26-,27+/m0/s1
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n/an/a<1n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...


ACS Chem Biol 10: 289-98 (2015)


Article DOI: 10.1021/cb500908d
BindingDB Entry DOI: 10.7270/Q2WH2NRB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/a<1n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...


J Med Chem 58: 6844-63 (2015)


BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50437150
PNG
(CHEMBL2403820)
Show SMILES CN1CCN(CCC(=O)Nc2ccc3ncnc(Nc4ccc(NC(=O)Nc5cc(nn5-c5cccc(N)c5)C(C)(C)C)cc4)c3c2)CC1
Show InChI InChI=1S/C36H43N11O2/c1-36(2,3)31-22-32(47(44-31)28-7-5-6-24(37)20-28)43-35(49)42-26-10-8-25(9-11-26)41-34-29-21-27(12-13-30(29)38-23-39-34)40-33(48)14-15-46-18-16-45(4)17-19-46/h5-13,20-23H,14-19,37H2,1-4H3,(H,40,48)(H,38,39,41)(H2,42,43,49)
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n/an/a 1.10n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) prein...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM92348
PNG
(1,4-Hybrid, 6)
Show SMILES CN(C)CCCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1
Show InChI InChI=1S/C34H40N10O2/c1-34(2,3)29-20-30(44(42-29)26-9-6-8-22(35)18-26)41-33(46)40-24-13-11-23(12-14-24)39-32-27-19-25(15-16-28(27)36-21-37-32)38-31(45)10-7-17-43(4)5/h6,8-9,11-16,18-21H,7,10,17,35H2,1-5H3,(H,38,45)(H,36,37,39)(H2,40,41,46)
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n/an/a 1.10n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) prein...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM92347
PNG
(1,4-Hybrid, 5)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3ccc(NC(=O)Nc4cc(nn4-c4cccc(N)c4)C(C)(C)C)cc3)c2c1
Show InChI InChI=1S/C31H33N9O2/c1-5-28(41)35-22-13-14-25-24(16-22)29(34-18-33-25)36-20-9-11-21(12-10-20)37-30(42)38-27-17-26(31(2,3)4)39-40(27)23-8-6-7-19(32)15-23/h6-18H,5,32H2,1-4H3,(H,35,41)(H,33,34,36)(H2,37,38,42)
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n/an/a 1.20n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) prein...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50314991
PNG
(CHEMBL1089524 | N-(4-(3-Bromophenylamino)quinolin-...)
Show SMILES CN(C)CCCC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C21H23BrN4O/c1-26(2)12-4-7-21(27)25-17-8-9-19-18(14-17)20(10-11-23-19)24-16-6-3-5-15(22)13-16/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,23,24)(H,25,27)
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n/an/a 1.70n/an/an/an/an/an/a



Chemical Genomics Centre of the Max Planck Society

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR by HTRF assay


J Med Chem 53: 2892-901 (2010)


Article DOI: 10.1021/jm901877j
BindingDB Entry DOI: 10.7270/Q2T43T7N
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50111480
PNG
(CHEMBL3604943)
Show SMILES COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12
Show InChI InChI=1S/C28H31N7O2/c1-5-27(36)30-22-16-23(26(37-4)17-25(22)35-14-12-33(2)13-15-35)32-28-29-11-10-21(31-28)20-18-34(3)24-9-7-6-8-19(20)24/h5-11,16-18H,1,12-15H2,2-4H3,(H,30,36)(H,29,31,32)
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n/an/a 2n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...


J Med Chem 58: 6844-63 (2015)


BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM149404
PNG
(AVL-301 | CHEMBL3545308 | CNX-419 | CO-1686 | Roci...)
Show SMILES COc1cc(ccc1Nc1ncc(c(Nc2cccc(NC(=O)C=C)c2)n1)C(F)(F)F)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)
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n/an/a 2n/an/an/an/an/an/a



TU Dortmund University

Curated by ChEMBL


Assay Description
Inhibition of wild type EGFR (unknown origin) expressed in Sf9 cells pre-incubated for 30 mins before substrate and ATP addition by homogeneous time-...


J Med Chem 58: 6844-63 (2015)


BindingDB Entry DOI: 10.7270/Q2WM1G59
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5284
PNG
(4-{[4-(Methylsulfonyl)piperazin-1-yl]methyl}-N-(5-...)
Show SMILES CS(=O)(=O)N1CCN(Cc2ccnc(Nc3ncc(s3)-c3ccccc3)c2)CC1
Show InChI InChI=1S/C20H23N5O2S2/c1-29(26,27)25-11-9-24(10-12-25)15-16-7-8-21-19(13-16)23-20-22-14-18(28-20)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3,(H,21,22,23)
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n/an/a 2n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


J Med Chem 47: 6363-72 (2004)


Article DOI: 10.1021/jm049697f
BindingDB Entry DOI: 10.7270/Q2PG1PXD
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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n/an/a 2.90n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of human wild-type ABL (Ser229 to Gln513)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) pr...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM153755
PNG
(ROCHE screening, 77)
Show SMILES COc1cc[nH]c1\C=C1/C(=O)Nc2ccc(c(N3CC[C@H](O)C3)c12)[N+]([O-])=O |r|
Show InChI InChI=1/C18H18N4O5/c1-27-15-4-6-19-13(15)8-11-16-12(20-18(11)24)2-3-14(22(25)26)17(16)21-7-5-10(23)9-21/h2-4,6,8,10,19,23H,5,7,9H2,1H3,(H,20,24)/b11-8-/t10-/s2
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n/an/a 3n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...


ACS Chem Biol 10: 289-98 (2015)


Article DOI: 10.1021/cb500908d
BindingDB Entry DOI: 10.7270/Q2WH2NRB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5282
PNG
((5-Phenylthiazol-2-yl)(4-pyrrolidin-1-ylmethylpyri...)
Show SMILES C(N1CCCC1)c1ccnc(Nc2ncc(s2)-c2ccccc2)c1
Show InChI InChI=1S/C19H20N4S/c1-2-6-16(7-3-1)17-13-21-19(24-17)22-18-12-15(8-9-20-18)14-23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,20,21,22)
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n/an/a 3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


J Med Chem 47: 6363-72 (2004)


Article DOI: 10.1021/jm049697f
BindingDB Entry DOI: 10.7270/Q2PG1PXD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5358
PNG
(N-(6-methoxypyridin-2-yl)-5-phenyl-1,3-thiazol-2-a...)
Show SMILES COc1cccc(Nc2ncc(s2)-c2ccccc2)n1
Show InChI InChI=1S/C15H13N3OS/c1-19-14-9-5-8-13(17-14)18-15-16-10-12(20-15)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,17,18)
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n/an/a 3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 14: 2941-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.052
BindingDB Entry DOI: 10.7270/Q25H7DG7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5413
PNG
(1-(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1
Show InChI InChI=1S/C23H24N4OS/c1-2-9-26(10-3-1)11-12-28-21-6-4-18(5-7-21)20-14-24-23-22(15-25-27(23)16-20)19-8-13-29-17-19/h4-8,13-17H,1-3,9-12H2
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n/an/a 3n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 12: 3537-41 (2002)


Article DOI: 10.1021/jm048962u
BindingDB Entry DOI: 10.7270/Q2S75DHR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5330
PNG
(3-{5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2...)
Show SMILES CC(=O)N1CCN(CCOc2ccc3[nH]c(cc3c2)-c2cc3ccccc3[nH]c2=O)CC1
Show InChI InChI=1S/C25H26N4O3/c1-17(30)29-10-8-28(9-11-29)12-13-32-20-6-7-23-19(14-20)16-24(26-23)21-15-18-4-2-3-5-22(18)27-25(21)31/h2-7,14-16,26H,8-13H2,1H3,(H,27,31)
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n/an/a 4n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2005.12.017
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5409
PNG
(4-(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES C(CN1CCOCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1
Show InChI InChI=1S/C22H22N4O2S/c1-3-20(28-11-8-25-6-9-27-10-7-25)4-2-17(1)19-13-23-22-21(14-24-26(22)15-19)18-5-12-29-16-18/h1-5,12-16H,6-11H2
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n/an/a 4n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 12: 3537-41 (2002)


Article DOI: 10.1021/jm048962u
BindingDB Entry DOI: 10.7270/Q2S75DHR
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5332
PNG
(3-{5-[2-(piperidin-1-yl)ethoxy]-1H-indol-2-yl}-1,2...)
Show SMILES O=c1[nH]c2ccccc2cc1-c1cc2cc(OCCN3CCCCC3)ccc2[nH]1
Show InChI InChI=1S/C24H25N3O2/c28-24-20(15-17-6-2-3-7-21(17)26-24)23-16-18-14-19(8-9-22(18)25-23)29-13-12-27-10-4-1-5-11-27/h2-3,6-9,14-16,25H,1,4-5,10-13H2,(H,26,28)
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n/an/a 4n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2005.12.017
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50437149
PNG
(CHEMBL2403821)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(NC(=O)CCN5CCOCC5)cc34)cc2)n(n1)-c1cccc(N)c1
Show InChI InChI=1S/C35H40N10O3/c1-35(2,3)30-21-31(45(43-30)27-6-4-5-23(36)19-27)42-34(47)41-25-9-7-24(8-10-25)40-33-28-20-26(11-12-29(28)37-22-38-33)39-32(46)13-14-44-15-17-48-18-16-44/h4-12,19-22H,13-18,36H2,1-3H3,(H,39,46)(H,37,38,40)(H2,41,42,47)
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n/an/a 4.70n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) prein...


J Med Chem 56: 5757-72 (2014)


Article DOI: 10.1021/jm4004076
BindingDB Entry DOI: 10.7270/Q2W37XPH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5334
PNG
(3-[5-(piperazin-1-ylcarbonyl)-1H-indol-2-yl]-1,2-d...)
Show SMILES O=C(N1CCNCC1)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H20N4O2/c27-21-17(12-14-3-1-2-4-18(14)25-21)20-13-16-11-15(5-6-19(16)24-20)22(28)26-9-7-23-8-10-26/h1-6,11-13,23-24H,7-10H2,(H,25,27)
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n/an/a 5n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2005.12.017
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5333
PNG
(3-{5-[(4-methylpiperazin-1-yl)carbonyl]-1H-indol-2...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H22N4O2/c1-26-8-10-27(11-9-26)23(29)16-6-7-20-17(12-16)14-21(24-20)18-13-15-4-2-3-5-19(15)25-22(18)28/h2-7,12-14,24H,8-11H2,1H3,(H,25,28)
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n/an/a 5n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2005.12.017
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5389
PNG
(2,4-Disubstituted Pyrimidine 3a | N-[3-methyl-5-(t...)
Show SMILES Cc1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C21H16F3N5/c1-14-11-16(21(22,23)24)13-17(12-14)27-20-26-8-7-18(28-20)29-10-9-25-19(29)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27,28)
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n/an/a 5n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/j.bmcl.2004.12.062
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5335
PNG
(3-{5-[(3-aminopyrrolidin-1-yl)carbonyl]-1H-indol-2...)
Show SMILES NC1CCN(C1)C(=O)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H20N4O2/c23-16-7-8-26(12-16)22(28)14-5-6-19-15(9-14)11-20(24-19)17-10-13-3-1-2-4-18(13)25-21(17)27/h1-6,9-11,16,24H,7-8,12,23H2,(H,25,27)
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n/an/a 5n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2005.12.017
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50283416
PNG
(4-[7-(2,3-Dihydroxy-phenyl)-heptyloxy]-2-hydroxy-3...)
Show SMILES CCCc1c(O)c(ccc1OCCCCCCCc1cccc(O)c1O)C(O)=O
Show InChI InChI=1S/C23H30O6/c1-2-9-17-20(14-13-18(22(17)26)23(27)28)29-15-7-5-3-4-6-10-16-11-8-12-19(24)21(16)25/h8,11-14,24-26H,2-7,9-10,15H2,1H3,(H,27,28)
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat basophilic leukemia(RBL-1) cells


Bioorg Med Chem Lett 4: 339-344 (1994)


Article DOI: 10.1016/S0960-894X(01)80140-2
BindingDB Entry DOI: 10.7270/Q2W095WT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5384
PNG
(2,4-Disubstituted Pyrimidine 2h | N-(3,5-dimethoxy...)
Show SMILES COc1cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)cc(OC)c1
Show InChI InChI=1S/C21H19N5O2/c1-27-17-12-16(13-18(14-17)28-2)24-21-23-9-8-19(25-21)26-11-10-22-20(26)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,23,24,25)
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n/an/a 5n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/j.bmcl.2004.12.062
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5336
PNG
(2-(2-oxo-1,2-dihydroquinolin-3-yl)-N-(pyrrolidin-3...)
Show SMILES O=C(NC1CCNC1)c1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C22H20N4O2/c27-21(24-16-7-8-23-12-16)14-5-6-19-15(9-14)11-20(25-19)17-10-13-3-1-2-4-18(13)26-22(17)28/h1-6,9-11,16,23,25H,7-8,12H2,(H,24,27)(H,26,28)
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n/an/a 6n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2005.12.017
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5351
PNG
(N-(4-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-am...)
Show SMILES Cc1ccnc(Nc2ncc(s2)-c2ccccc2)c1
Show InChI InChI=1S/C15H13N3S/c1-11-7-8-16-14(9-11)18-15-17-10-13(19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,18)
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n/an/a 6n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 14: 2941-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.052
BindingDB Entry DOI: 10.7270/Q25H7DG7
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50283408
PNG
(4-[5-(2,3-Dihydroxy-phenyl)-pentyloxy]-2-hydroxy-3...)
Show SMILES CCCc1c(O)c(ccc1OCCCCCc1cccc(O)c1O)C(O)=O
Show InChI InChI=1S/C21H26O6/c1-2-7-15-18(12-11-16(20(15)24)21(25)26)27-13-5-3-4-8-14-9-6-10-17(22)19(14)23/h6,9-12,22-24H,2-5,7-8,13H2,1H3,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase from rat basophilic leukemia(RBL-1) cells


Bioorg Med Chem Lett 4: 339-344 (1994)


Article DOI: 10.1016/S0960-894X(01)80140-2
BindingDB Entry DOI: 10.7270/Q2W095WT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5281
PNG
(5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]...)
Show SMILES C(N1CCCC1)c1ccc(Nc2ncc(s2)-c2ccccc2)nc1
Show InChI InChI=1S/C19H20N4S/c1-2-6-16(7-3-1)17-13-21-19(24-17)22-18-9-8-15(12-20-18)14-23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,20,21,22)
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n/an/a 6n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 14: 2941-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.052
BindingDB Entry DOI: 10.7270/Q25H7DG7
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5380
PNG
(2,4-Disubstituted Pyrimidine 2d | N-(3,5-dimethylp...)
Show SMILES Cc1cc(C)cc(Nc2nccc(n2)-n2ccnc2-c2ccccc2)c1
Show InChI InChI=1S/C21H19N5/c1-15-12-16(2)14-18(13-15)24-21-23-9-8-19(25-21)26-11-10-22-20(26)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,23,24,25)
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n/an/a 6n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 13: 1673-7 (2003)


Article DOI: 10.1016/j.bmcl.2004.12.062
BindingDB Entry DOI: 10.7270/Q2X0657G
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5281
PNG
(5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]...)
Show SMILES C(N1CCCC1)c1ccc(Nc2ncc(s2)-c2ccccc2)nc1
Show InChI InChI=1S/C19H20N4S/c1-2-6-16(7-3-1)17-13-21-19(24-17)22-18-9-8-15(12-20-18)14-23-10-4-5-11-23/h1-3,6-9,12-13H,4-5,10-11,14H2,(H,20,21,22)
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n/an/a 6n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


J Med Chem 47: 6363-72 (2004)


Article DOI: 10.1021/jm049697f
BindingDB Entry DOI: 10.7270/Q2PG1PXD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5329
PNG
(3-(5-{2-[(2-methoxyethyl)(methyl)amino]ethoxy}-1H-...)
Show SMILES COCCN(C)CCOc1ccc2[nH]c(cc2c1)-c1cc2ccccc2[nH]c1=O
Show InChI InChI=1S/C23H25N3O3/c1-26(9-11-28-2)10-12-29-18-7-8-21-17(13-18)15-22(24-21)19-14-16-5-3-4-6-20(16)25-23(19)27/h3-8,13-15,24H,9-12H2,1-2H3,(H,25,27)
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n/an/a 7n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


Bioorg Med Chem Lett 14: 351-5 (2004)


Article DOI: 10.1016/j.bmcl.2005.12.017
BindingDB Entry DOI: 10.7270/Q298856Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5280
PNG
(5-phenyl-N-(pyridin-2-yl)-1,3-thiazol-2-amine | N-...)
Show SMILES N(c1ncc(s1)-c1ccccc1)c1ccccn1
Show InChI InChI=1S/C14H11N3S/c1-2-6-11(7-3-1)12-10-16-14(18-12)17-13-8-4-5-9-15-13/h1-10H,(H,15,16,17)
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n/an/a 7n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


J Med Chem 47: 6363-72 (2004)


Article DOI: 10.1021/jm049697f
BindingDB Entry DOI: 10.7270/Q2PG1PXD
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5292
PNG
(2-({4-[(4-methanesulfonylpiperidin-1-yl)methyl]pyr...)
Show SMILES CS(=O)(=O)C1CCN(Cc2ccnc(Nc3ncc(s3)C#N)c2)CC1
Show InChI InChI=1S/C16H19N5O2S2/c1-25(22,23)14-3-6-21(7-4-14)11-12-2-5-18-15(8-12)20-16-19-10-13(9-17)24-16/h2,5,8,10,14H,3-4,6-7,11H2,1H3,(H,18,19,20)
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n/an/a 7n/an/an/an/a7.422



Merck Research Laboratories



Assay Description
Activated KDR was incubated with 25 uM/10 uCi of [gamma-33P] ATP, poly-Glu/Tyr, and inhibitors in kinase buffer for 15 min at 22 °C. The reactio...


J Med Chem 47: 6363-72 (2004)


Article DOI: 10.1021/jm049697f
BindingDB Entry DOI: 10.7270/Q2PG1PXD
More data for this
Ligand-Target Pair
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