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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'addison' and Initial = 'g'   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359810
PNG
(CHEMBL1928701)
Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OC4CCCNC4)n3)ncc12
Show InChI InChI=1S/C19H17ClN6O/c20-15-5-1-3-12-7-17(24-10-14(12)15)25-18-11-23-16(8-21)19(26-18)27-13-4-2-6-22-9-13/h1,3,5,7,10-11,13,22H,2,4,6,9H2,(H,24,25,26)
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n/an/a 3.80n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359811
PNG
(CHEMBL1928700)
Show SMILES N#Cc1ncc(Nc2cc3ccccc3cn2)nc1OC1CCCNC1
Show InChI InChI=1S/C19H18N6O/c20-9-16-19(26-15-6-3-7-21-11-15)25-18(12-22-16)24-17-8-13-4-1-2-5-14(13)10-23-17/h1-2,4-5,8,10,12,15,21H,3,6-7,11H2,(H,23,24,25)
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n/an/a 7n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359807
PNG
(CHEMBL1928705)
Show SMILES C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359814
PNG
(CHEMBL1928697)
Show SMILES N#Cc1ncc(Nc2cc3ccccc3cn2)nc1OCC1CCNCC1
Show InChI InChI=1S/C20H20N6O/c21-10-17-20(27-13-14-5-7-22-8-6-14)26-19(12-23-17)25-18-9-15-3-1-2-4-16(15)11-24-18/h1-4,9,11-12,14,22H,5-8,13H2,(H,24,25,26)
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n/an/a 17n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359812
PNG
(CHEMBL1928699)
Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OCC4CCNCC4)n3)ncc12
Show InChI InChI=1S/C20H19ClN6O/c21-16-3-1-2-14-8-18(25-10-15(14)16)26-19-11-24-17(9-22)20(27-19)28-12-13-4-6-23-7-5-13/h1-3,8,10-11,13,23H,4-7,12H2,(H,25,26,27)
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n/an/a 22n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359809
PNG
(CHEMBL1928702)
Show SMILES CN(C)CCOc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C18H17ClN6O/c1-25(2)6-7-26-18-15(9-20)21-11-17(24-18)23-16-8-12-4-3-5-14(19)13(12)10-22-16/h3-5,8,10-11H,6-7H2,1-2H3,(H,22,23,24)
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n/an/a 23n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359806
PNG
(CHEMBL1928706)
Show SMILES C[C@@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359819
PNG
(CHEMBL1928692)
Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1
Show InChI InChI=1S/C18H21N7O2/c1-27-18(26)14-10-24-16(25-17-11-21-13(7-19)9-23-17)6-15(14)22-8-12-2-4-20-5-3-12/h6,9-12,20H,2-5,8H2,1H3,(H2,22,23,24,25)
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n/an/a 36n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359816
PNG
(CHEMBL1928695)
Show SMILES N#Cc1ncc(Nc2cc3nc[nH]c3cn2)nc1OCC1CCNCC1
Show InChI InChI=1S/C17H18N8O/c18-6-13-17(26-9-11-1-3-19-4-2-11)25-16(8-20-13)24-15-5-12-14(7-21-15)23-10-22-12/h5,7-8,10-11,19H,1-4,9H2,(H,22,23)(H,21,24,25)
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n/an/a 49n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359808
PNG
(CHEMBL1928703)
Show SMILES CC(CN(C)C)Oc1nc(Nc2cc3ccccc3cn2)cnc1C#N
Show InChI InChI=1S/C19H20N6O/c1-13(12-25(2)3)26-19-16(9-20)21-11-18(24-19)23-17-8-14-6-4-5-7-15(14)10-22-17/h4-8,10-11,13H,12H2,1-3H3,(H,22,23,24)
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n/an/a 51n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50321650
PNG
((4-(3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES NCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C16H14N6/c17-5-11-1-3-12(4-2-11)14-10-22-15(13-6-20-21-7-13)8-19-16(22)9-18-14/h1-4,6-10H,5,17H2,(H,20,21)
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n/an/a 120n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359822
PNG
(CHEMBL1928689)
Show SMILES N#Cc1cnc(Nc2cc(NCC3CCNCC3)ncn2)cn1
Show InChI InChI=1S/C15H18N8/c16-6-12-8-20-15(9-18-12)23-14-5-13(21-10-22-14)19-7-11-1-3-17-4-2-11/h5,8-11,17H,1-4,7H2,(H2,19,20,21,22,23)
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n/an/a 130n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50321650
PNG
((4-(3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES NCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C16H14N6/c17-5-11-1-3-12(4-2-11)14-10-22-15(13-6-20-21-7-13)8-19-16(22)9-18-14/h1-4,6-10H,5,17H2,(H,20,21)
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n/an/a 240n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ABL1 by Z-lite assay


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359796
PNG
(CHEMBL1928682)
Show SMILES NCC1CCN(CC1)c1ncnc2[nH]c3cnccc3c12
Show InChI InChI=1S/C15H18N6/c16-7-10-2-5-21(6-3-10)15-13-11-1-4-17-8-12(11)20-14(13)18-9-19-15/h1,4,8-10H,2-3,5-7,16H2,(H,18,19,20)
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n/an/a 290n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50321651
PNG
((4-(3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES OCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C16H13N5O/c22-10-11-1-3-12(4-2-11)14-9-21-15(13-5-19-20-6-13)7-18-16(21)8-17-14/h1-9,22H,10H2,(H,19,20)
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n/an/a 300n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ABL1 by Z-lite assay


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359823
PNG
(CHEMBL1928688)
Show SMILES NCCCNc1cc(Nc2cnc(cn2)C#N)ncn1
Show InChI InChI=1S/C12H14N8/c13-2-1-3-15-10-4-11(19-8-18-10)20-12-7-16-9(5-14)6-17-12/h4,6-8H,1-3,13H2,(H2,15,17,18,19,20)
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n/an/a 400n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359804
PNG
(CHEMBL1928673)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
Show InChI InChI=1S/C18H21N5O2/c19-7-14-9-23(4-5-25-14)18-16-15(8-20-17(16)21-11-22-18)13-3-1-2-12(6-13)10-24/h1-3,6,8,11,14,24H,4-5,7,9-10,19H2,(H,20,21,22)
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n/an/a 430n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50321649
PNG
(3,6-di(1H-pyrazol-4-yl)imidazo[1,2-a]pyrimidine | ...)
Show SMILES c1n[nH]cc1-c1cnc2ncc(cn12)-c1cn[nH]c1
Show InChI InChI=1S/C12H9N7/c1-10(8-2-15-16-3-8)7-19-11(6-14-12(19)13-1)9-4-17-18-5-9/h1-7H,(H,15,16)(H,17,18)
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n/an/a 440n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ABL1 by Z-lite assay


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50321654
PNG
(3-(1H-pyrazol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2...)
Show SMILES c1cc(n[nH]1)-c1cnc2ncc(cn12)-c1cn[nH]c1
Show InChI InChI=1S/C12H9N7/c1-2-15-18-10(1)11-6-14-12-13-3-9(7-19(11)12)8-4-16-17-5-8/h1-7H,(H,15,18)(H,16,17)
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n/an/a 480n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359806
PNG
(CHEMBL1928706)
Show SMILES C[C@@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359797
PNG
(CHEMBL1928681)
Show SMILES NC1CCN(CC1)c1ncnc2[nH]c3cnccc3c12
Show InChI InChI=1S/C14H16N6/c15-9-2-5-20(6-3-9)14-12-10-1-4-16-7-11(10)19-13(12)17-8-18-14/h1,4,7-9H,2-3,5-6,15H2,(H,17,18,19)
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n/an/a 670n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359813
PNG
(CHEMBL1928698)
Show SMILES Clc1cccc2cc(Nc3cnc(cn3)C#N)ncc12
Show InChI InChI=1S/C14H8ClN5/c15-12-3-1-2-9-4-13(19-7-11(9)12)20-14-8-17-10(5-16)6-18-14/h1-4,6-8H,(H,18,19,20)
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n/an/a 740n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359801
PNG
(CHEMBL1928677)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]c3cnccc3c12
Show InChI InChI=1S/C14H16N6O/c15-5-9-7-20(3-4-21-9)14-12-10-1-2-16-6-11(10)19-13(12)17-8-18-14/h1-2,6,8-9H,3-5,7,15H2,(H,17,18,19)
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n/an/a 880n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359815
PNG
(CHEMBL1928696)
Show SMILES N#Cc1cnc(Nc2cc3ccccc3cn2)cn1
Show InChI InChI=1S/C14H9N5/c15-6-12-8-18-14(9-16-12)19-13-5-10-3-1-2-4-11(10)7-17-13/h1-5,7-9H,(H,17,18,19)
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n/an/a 940n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM33212
PNG
(pyrazolo pyridine, 11)
Show SMILES CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1
Show InChI InChI=1S/C14H19N5O3/c1-2-21-14(20)11-6-16-13-10(7-17-18-13)12(11)19-3-4-22-9(5-15)8-19/h6-7,9H,2-5,8,15H2,1H3,(H,16,17,18)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359825
PNG
(CHEMBL1928686)
Show SMILES NC1CCN(CC1)c1cc(Nc2cnc(cn2)C#N)ncn1
Show InChI InChI=1S/C14H16N8/c15-6-11-7-18-13(8-17-11)21-12-5-14(20-9-19-12)22-3-1-10(16)2-4-22/h5,7-10H,1-4,16H2,(H,18,19,20,21)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50321655
PNG
(3-(1H-indol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a...)
Show SMILES c1n[nH]cc1-c1cn2c(cnc2cn1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H12N6/c1-2-4-14-12(3-1)13(7-18-14)16-8-20-17-9-19-15(10-23(16)17)11-5-21-22-6-11/h1-10,18H,(H,21,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50321654
PNG
(3-(1H-pyrazol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2...)
Show SMILES c1cc(n[nH]1)-c1cnc2ncc(cn12)-c1cn[nH]c1
Show InChI InChI=1S/C12H9N7/c1-2-15-18-10(1)11-6-14-12-13-3-9(7-19(11)12)8-4-16-17-5-8/h1-7H,(H,15,18)(H,16,17)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359829
PNG
(CHEMBL1928671)
Show SMILES CCOC(=O)c1cnc2[nH]nc(-c3cccc(c3)C#N)c2c1N1CCOC(CN)C1
Show InChI InChI=1S/C21H22N6O3/c1-2-29-21(28)16-11-24-20-17(19(16)27-6-7-30-15(10-23)12-27)18(25-26-20)14-5-3-4-13(8-14)9-22/h3-5,8,11,15H,2,6-7,10,12,23H2,1H3,(H,24,25,26)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359826
PNG
(CHEMBL1928685)
Show SMILES NCC1CCN(CC1)c1cc(Nc2cnc(cn2)C#N)ncn1
Show InChI InChI=1S/C15H18N8/c16-6-11-1-3-23(4-2-11)15-5-13(20-10-21-15)22-14-9-18-12(7-17)8-19-14/h5,8-11H,1-4,6,16H2,(H,19,20,21,22)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359798
PNG
(CHEMBL1928680)
Show SMILES NCCCNc1ncnc2[nH]c3cnccc3c12
Show InChI InChI=1S/C12H14N6/c13-3-1-4-15-11-10-8-2-5-14-6-9(8)18-12(10)17-7-16-11/h2,5-7H,1,3-4,13H2,(H2,15,16,17,18)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359799
PNG
(CHEMBL1928679)
Show SMILES NCCNc1ncnc2[nH]c3cnccc3c12
Show InChI InChI=1S/C11H12N6/c12-2-4-14-10-9-7-1-3-13-5-8(7)17-11(9)16-6-15-10/h1,3,5-6H,2,4,12H2,(H2,14,15,16,17)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50321656
PNG
((3-(3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES OCc1cccc(c1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C16H13N5O/c22-10-11-2-1-3-12(4-11)14-9-21-15(13-5-19-20-6-13)7-18-16(21)8-17-14/h1-9,22H,10H2,(H,19,20)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359821
PNG
(CHEMBL1928690)
Show SMILES OCCCNc1cc(Nc2cnc(cn2)C#N)ncn1
Show InChI InChI=1S/C12H13N7O/c13-5-9-6-16-12(7-15-9)19-11-4-10(17-8-18-11)14-2-1-3-20/h4,6-8,20H,1-3H2,(H2,14,16,17,18,19)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359810
PNG
(CHEMBL1928701)
Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OC4CCCNC4)n3)ncc12
Show InChI InChI=1S/C19H17ClN6O/c20-15-5-1-3-12-7-17(24-10-14(12)15)25-18-11-23-16(8-21)19(26-18)27-13-4-2-6-22-9-13/h1,3,5,7,10-11,13,22H,2,4,6,9H2,(H,24,25,26)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359818
PNG
(CHEMBL1928693)
Show SMILES N#Cc1cnc(Nc2cc3nc[nH]c3cn2)cn1
Show InChI InChI=1S/C11H7N7/c12-2-7-3-14-11(5-13-7)18-10-1-8-9(4-15-10)17-6-16-8/h1,3-6H,(H,16,17)(H,14,15,18)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50321650
PNG
((4-(3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES NCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C16H14N6/c17-5-11-1-3-12(4-2-11)14-10-22-15(13-6-20-21-7-13)8-19-16(22)9-18-14/h1-4,6-10H,5,17H2,(H,20,21)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50321651
PNG
((4-(3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES OCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C16H13N5O/c22-10-11-1-3-12(4-2-11)14-9-21-15(13-5-19-20-6-13)7-18-16(21)8-17-14/h1-9,22H,10H2,(H,19,20)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359802
PNG
(CHEMBL1928676)
Show SMILES NC[C@H]1CN(CCO1)c1ncnc2[nH]c3ccccc3c12
Show InChI InChI=1S/C15H17N5O/c16-7-10-8-20(5-6-21-10)15-13-11-3-1-2-4-12(11)19-14(13)17-9-18-15/h1-4,9-10H,5-8,16H2,(H,17,18,19)/t10-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359824
PNG
(CHEMBL1928687)
Show SMILES NCCNc1cc(Nc2cnc(cn2)C#N)ncn1
Show InChI InChI=1S/C11H12N8/c12-1-2-14-9-3-10(18-7-17-9)19-11-6-15-8(4-13)5-16-11/h3,5-7H,1-2,12H2,(H2,14,16,17,18,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359803
PNG
(CHEMBL1928675)
Show SMILES NC[C@@H]1CN(CCO1)c1ncnc2[nH]c3ccccc3c12
Show InChI InChI=1S/C15H17N5O/c16-7-10-8-20(5-6-21-10)15-13-11-3-1-2-4-12(11)19-14(13)17-9-18-15/h1-4,9-10H,5-8,16H2,(H,17,18,19)/t10-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glycogen synthase kinase-3


(Homo sapiens (human))
BDBM50321657
PNG
(3-phenyl-6-(pyridin-4-yl)imidazo[1,2-a]pyrazine | ...)
Show SMILES c1nc2cnc(cn2c1-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C17H12N4/c1-2-4-14(5-3-1)16-10-20-17-11-19-15(12-21(16)17)13-6-8-18-9-7-13/h1-12H
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n/an/a 3.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta at 10 uM by mobility shift assay


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359805
PNG
(CHEMBL1928672)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C18H18N6O/c19-7-12-2-1-3-13(6-12)15-9-21-17-16(15)18(23-11-22-17)24-4-5-25-14(8-20)10-24/h1-3,6,9,11,14H,4-5,8,10,20H2,(H,21,22,23)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359802
PNG
(CHEMBL1928676)
Show SMILES NC[C@H]1CN(CCO1)c1ncnc2[nH]c3ccccc3c12
Show InChI InChI=1S/C15H17N5O/c16-7-10-8-20(5-6-21-10)15-13-11-3-1-2-4-12(11)19-14(13)17-9-18-15/h1-4,9-10H,5-8,16H2,(H,17,18,19)/t10-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359804
PNG
(CHEMBL1928673)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(CO)c3)c12
Show InChI InChI=1S/C18H21N5O2/c19-7-14-9-23(4-5-25-14)18-16-15(8-20-17(16)21-11-22-18)13-3-1-2-12(6-13)10-24/h1-3,6,8,11,14,24H,4-5,7,9-10,19H2,(H,20,21,22)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50321681
PNG
((3-(3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl)...)
Show SMILES NCc1cccc(c1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
Show InChI InChI=1S/C16H14N6/c17-5-11-2-1-3-12(4-11)14-10-22-15(13-6-20-21-7-13)8-19-16(22)9-18-14/h1-4,6-10H,5,17H2,(H,20,21)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA


Bioorg Med Chem Lett 20: 4045-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.096
BindingDB Entry DOI: 10.7270/Q2MP5487
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50359802
PNG
(CHEMBL1928676)
Show SMILES NC[C@H]1CN(CCO1)c1ncnc2[nH]c3ccccc3c12
Show InChI InChI=1S/C15H17N5O/c16-7-10-8-20(5-6-21-10)15-13-11-3-1-2-4-12(11)19-14(13)17-9-18-15/h1-4,9-10H,5-8,16H2,(H,17,18,19)/t10-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK2 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50359800
PNG
(CHEMBL1928678)
Show SMILES NCC1CN(CCO1)c1ncnc2[nH]c3cc(ccc3c12)C#N
Show InChI InChI=1S/C16H16N6O/c17-6-10-1-2-12-13(5-10)21-15-14(12)16(20-9-19-15)22-3-4-23-11(7-18)8-22/h1-2,5,9,11H,3-4,7-8,18H2,(H,19,20,21)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Competitive inhibition of human CHK1 using ATP as substrate by DELFIA


J Med Chem 54: 8328-42 (2011)


Article DOI: 10.1021/jm2007326
BindingDB Entry DOI: 10.7270/Q2GH9JDJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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