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15 molecules are shown

Wt: 264.2
BDBM50325177
Wt: 265.2
BDBM50325146
Wt: 276.2
BDBM50325171
Wt: 277.2
BDBM50325173
Wt: 265.2
BDBM50379563
Wt: 280.2
BDBM50379560
Wt: 279.2
BDBM50379564
Wt: 323.3
BDBM50379565
Wt: 350.4
BDBM50379570
Wt: 337.3
BDBM50379572
Wt: 307.3
BDBM50379573
Wt: 364.4
BDBM50379580
Wt: 362.4
BDBM50379582
Wt: 322.3
BDBM50379584
Wt: 330.3
BDBM50379585

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50325177,50325146,50325171,50325173,50379563,50379560,50379564,50379565,50379570,50379572,50379573,50379580,50379582,50379584,50379585   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325177
PNG
(5-methyl-8-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C15H12N4O/c1-9-7-14-17-18-15(20)19(14)13-8-10(4-5-11(9)13)12-3-2-6-16-12/h2-8,16H,1H3,(H,18,20)
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n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
TAK1/TAB1


(Homo sapiens (Human))
BDBM50379560
PNG
(CHEMBL2012881)
Show SMILES OCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21)
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n/an/a 650n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of MAP3K7


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325171
PNG
(5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINO...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccncc1
Show InChI InChI=1S/C16H12N4O/c1-10-8-15-18-19-16(21)20(15)14-9-12(2-3-13(10)14)11-4-6-17-7-5-11/h2-9H,1H3,(H,19,21)
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n/an/a 14n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325173
PNG
(5-methyl-8-(pyrazin-2-yl)-[1,2,4]triazolo[4,3-a]qu...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cnccn1
Show InChI InChI=1S/C15H11N5O/c1-9-6-14-18-19-15(21)20(14)13-7-10(2-3-11(9)13)12-8-16-4-5-17-12/h2-8H,1H3,(H,19,21)
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n/an/a 1.59E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379564
PNG
(CHEMBL2012865)
Show SMILES NCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C15H13N5O/c16-8-10-7-14-18-19-15(21)20(14)13-6-9(3-4-11(10)13)12-2-1-5-17-12/h1-7,17H,8,16H2,(H,19,21)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379563
PNG
(CHEMBL2012861)
Show SMILES Nc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C14H11N5O/c15-10-7-13-17-18-14(20)19(13)12-6-8(3-4-9(10)12)11-2-1-5-16-11/h1-7,16H,15H2,(H,18,20)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379584
PNG
(CHEMBL2012867)
Show SMILES NCCNCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C17H18N6O/c18-5-7-19-10-12-9-16-21-22-17(24)23(16)15-8-11(3-4-13(12)15)14-2-1-6-20-14/h1-4,6,8-9,19-20H,5,7,10,18H2,(H,22,24)
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n/an/a 300n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379570
PNG
(CHEMBL2012868)
Show SMILES CN(C)CCNCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C19H22N6O/c1-24(2)9-8-20-12-14-11-18-22-23-19(26)25(18)17-10-13(5-6-15(14)17)16-4-3-7-21-16/h3-7,10-11,20-21H,8-9,12H2,1-2H3,(H,23,26)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379580
PNG
(CHEMBL2012869)
Show SMILES CN(C)CCCNCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C20H24N6O/c1-25(2)10-4-8-21-13-15-12-19-23-24-20(27)26(19)18-11-14(6-7-16(15)18)17-5-3-9-22-17/h3,5-7,9,11-12,21-22H,4,8,10,13H2,1-2H3,(H,24,27)
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n/an/a 980n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379565
PNG
(CHEMBL2012870)
Show SMILES OCCNCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C17H17N5O2/c23-7-6-18-10-12-9-16-20-21-17(24)22(16)15-8-11(3-4-13(12)15)14-2-1-5-19-14/h1-5,8-9,18-19,23H,6-7,10H2,(H,21,24)
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n/an/a 30n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379573
PNG
(CHEMBL2012866)
Show SMILES CN(C)Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C17H17N5O/c1-21(2)10-12-9-16-19-20-17(23)22(16)15-8-11(5-6-13(12)15)14-4-3-7-18-14/h3-9,18H,10H2,1-2H3,(H,20,23)
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325177
PNG
(5-methyl-8-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C15H12N4O/c1-9-7-14-17-18-15(20)19(14)13-8-10(4-5-11(9)13)12-3-2-6-16-12/h2-8,16H,1H3,(H,18,20)
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n/an/a 0.100n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379572
PNG
(CHEMBL2012871)
Show SMILES OCCCNCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C18H19N5O2/c24-8-2-6-19-11-13-10-17-21-22-18(25)23(17)16-9-12(4-5-14(13)16)15-3-1-7-20-15/h1,3-5,7,9-10,19-20,24H,2,6,8,11H2,(H,22,25)
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n/an/a 90n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379582
PNG
(CHEMBL2012873)
Show SMILES CN1CCN(Cc2cc3n[nH]c(=O)n3c3cc(ccc23)-c2ccc[nH]2)CC1
Show InChI InChI=1S/C20H22N6O/c1-24-7-9-25(10-8-24)13-15-12-19-22-23-20(27)26(19)18-11-14(4-5-16(15)18)17-3-2-6-21-17/h2-6,11-12,21H,7-10,13H2,1H3,(H,23,27)
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n/an/a 240n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379560
PNG
(CHEMBL2012881)
Show SMILES OCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21)
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n/an/a 20n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50379585
PNG
(CHEMBL2012876)
Show SMILES O=c1[nH]nc2cc(Cn3ccnc3)c3ccc(cc3n12)-c1ccc[nH]1
Show InChI InChI=1S/C18H14N6O/c25-18-22-21-17-9-13(10-23-7-6-19-11-23)14-4-3-12(8-16(14)24(17)18)15-2-1-5-20-15/h1-9,11,20H,10H2,(H,22,25)
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n/an/a 400n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50379560
PNG
(CHEMBL2012881)
Show SMILES OCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21)
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n/an/a 319n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50379560
PNG
(CHEMBL2012881)
Show SMILES OCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1
Show InChI InChI=1S/C15H12N4O2/c20-8-10-7-14-17-18-15(21)19(14)13-6-9(3-4-11(10)13)12-2-1-5-16-12/h1-7,16,20H,8H2,(H,18,21)
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n/an/a 650n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 22: 2330-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325146
PNG
(8-(1H-imidazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-...)
Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1c[nH]cn1
Show InChI InChI=1S/C14H11N5O/c1-8-4-13-17-18-14(20)19(13)12-5-9(2-3-10(8)12)11-6-15-7-16-11/h2-7H,1H3,(H,15,16)(H,18,20)
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n/an/a 160n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 20: 5133-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.015
BindingDB Entry DOI: 10.7270/Q2FF3SJZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)