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Compile Data Set for Download or QSAR

Found 13 hits Enz. Inhib. hit(s) with all data for entry = 50031519   
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
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314672
PNG
(2-(3-bromophenyl)-4-(pyridin-3-ylmethylene)oxazol-...)
Show SMILES Brc1cccc(c1)C1=N\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C15H9BrN2O2/c16-12-5-1-4-11(8-12)14-18-13(15(19)20-14)7-10-3-2-6-17-9-10/h1-9H/b13-7-
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n/an/a 148n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314673
PNG
(2-(2-bromo-4-methoxyphenyl)-4-(pyridin-3-ylmethyle...)
Show SMILES COc1ccc(C2=N\C(=C/c3cccnc3)C(=O)O2)c(Br)c1
Show InChI InChI=1S/C16H11BrN2O3/c1-21-11-4-5-12(13(17)8-11)15-19-14(16(20)22-15)7-10-3-2-6-18-9-10/h2-9H,1H3/b14-7-
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n/an/a 157n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314664
PNG
(2-(2-chloro-5-iodophenyl)-4-(pyridin-4-ylmethylene...)
Show SMILES Clc1ccc(I)cc1C1=N\C(=C/c2ccncc2)C(=O)O1
Show InChI InChI=1S/C15H8ClIN2O2/c16-12-2-1-10(17)8-11(12)14-19-13(15(20)21-14)7-9-3-5-18-6-4-9/h1-8H/b13-7-
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n/an/a 227n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314665
PNG
(2-(4-chloro-3-nitrophenyl)-4-(pyridin-3-ylmethylen...)
Show SMILES [O-][N+](=O)c1cc(ccc1Cl)C1=N\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C15H8ClN3O4/c16-11-4-3-10(7-13(11)19(21)22)14-18-12(15(20)23-14)6-9-2-1-5-17-8-9/h1-8H/b12-6-
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n/an/a 279n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314670
PNG
(2-(4-bromo-3-methylphenyl)-4-(pyridin-3-ylmethylen...)
Show SMILES Cc1cc(ccc1Br)C1=N\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C16H11BrN2O2/c1-10-7-12(4-5-13(10)17)15-19-14(16(20)21-15)8-11-3-2-6-18-9-11/h2-9H,1H3/b14-8-
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n/an/a 279n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314671
PNG
(2-(4-nitrophenyl)-4-(pyridin-3-ylmethylene)oxazol-...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=N\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C15H9N3O4/c19-15-13(8-10-2-1-7-16-9-10)17-14(22-15)11-3-5-12(6-4-11)18(20)21/h1-9H/b13-8-
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n/an/a 291n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314668
PNG
(2-(3,4-difluorophenyl)-4-(pyridin-3-ylmethylene)ox...)
Show SMILES Fc1ccc(cc1F)C1=N\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C15H8F2N2O2/c16-11-4-3-10(7-12(11)17)14-19-13(15(20)21-14)6-9-2-1-5-18-8-9/h1-8H/b13-6-
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n/an/a 346n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314669
PNG
(2-(3-chlorophenyl)-4-(pyridin-3-ylmethylene)oxazol...)
Show SMILES Clc1cccc(c1)C1=N\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C15H9ClN2O2/c16-12-5-1-4-11(8-12)14-18-13(15(19)20-14)7-10-3-2-6-17-9-10/h1-9H/b13-7-
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n/an/a 360n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314674
PNG
(2-(3-methoxyphenyl)-4-(pyridin-3-ylmethylene)oxazo...)
Show SMILES COc1cccc(c1)C1=N\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C16H12N2O3/c1-20-13-6-2-5-12(9-13)15-18-14(16(19)21-15)8-11-4-3-7-17-10-11/h2-10H,1H3/b14-8-
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n/an/a 395n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314667
PNG
(2-(4-chlorophenyl)-4-(pyridin-3-ylmethylene)oxazol...)
Show SMILES Clc1ccc(cc1)C1=N\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C15H9ClN2O2/c16-12-5-3-11(4-6-12)14-18-13(15(19)20-14)8-10-2-1-7-17-9-10/h1-9H/b13-8-
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n/an/a 530n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314675
PNG
(2-(4-methyl-3-nitrophenyl)-4-(pyridin-3-ylmethylen...)
Show SMILES Cc1ccc(cc1[N+]([O-])=O)C1=N\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C16H11N3O4/c1-10-4-5-12(8-14(10)19(21)22)15-18-13(16(20)23-15)7-11-3-2-6-17-9-11/h2-9H,1H3/b13-7-
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n/an/a 534n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314663
PNG
(2-phenyl-4-(pyridin-3-ylmethylene)oxazol-5(4H)-one...)
Show SMILES O=C1OC(=N\C1=C/c1cccnc1)c1ccccc1
Show InChI InChI=1S/C15H10N2O2/c18-15-13(9-11-5-4-8-16-10-11)17-14(19-15)12-6-2-1-3-7-12/h1-10H/b13-9-
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n/an/a 583n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair
Death-associated protein kinase 3


(Homo sapiens (Human))
BDBM50314666
PNG
(4-(pyridin-3-ylmethylene)-2-m-tolyloxazol-5(4H)-on...)
Show SMILES Cc1cccc(c1)C1=N\C(=C/c2cccnc2)C(=O)O1
Show InChI InChI=1S/C16H12N2O2/c1-11-4-2-6-13(8-11)15-18-14(16(19)20-15)9-12-5-3-7-17-10-12/h2-10H,1H3/b14-9-
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n/an/a 714n/an/an/an/an/an/a



PharmaDesign, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAPK3


Bioorg Med Chem 18: 2728-34 (2010)


Article DOI: 10.1016/j.bmc.2010.02.018
BindingDB Entry DOI: 10.7270/Q2RB74R2
More data for this
Ligand-Target Pair