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PubMed code 21186793

Compile data set for download or QSAR
Found 72 hits of Enzyme Inhibition Constant Data   
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 CHK2


(Homo sapiens (Human))
BDBM50335683
PNG
(4-fluoro-2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyr...)
Show SMILES COCCOc1cc2nc(nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC)-c1cc(F)ccc1O
Show InChI InChI=1S/C25H31FN4O5/c1-25(2,32)17-12-27-13-19(17)29-23-15-10-21(34-4)22(35-8-7-33-3)11-18(15)28-24(30-23)16-9-14(26)5-6-20(16)31/h5-6,9-11,17,19,27,31-32H,7-8,12-13H2,1-4H3,(H,28,29,30)/t17-,19-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335687
PNG
(2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3...)
Show SMILES CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(ccc1O)-c1cc[nH]n1
Show InChI InChI=1S/C24H26N6O2/c1-24(2,32)17-12-25-13-20(17)28-22-15-5-3-4-6-19(15)27-23(29-22)16-11-14(7-8-21(16)31)18-9-10-26-30-18/h3-11,17,20,25,31-32H,12-13H2,1-2H3,(H,26,30)(H,27,28,29)/t17-,20-/m1/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335662
PNG
((S)-4-(1H-pyrazol-3-yl)-2-(4-(pyrrolidin-3-ylamino...)
Show SMILES Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)-c1cc[nH]n1
Show InChI InChI=1S/C21H20N6O/c28-19-6-5-13(17-8-10-23-27-17)11-16(19)21-25-18-4-2-1-3-15(18)20(26-21)24-14-7-9-22-12-14/h1-6,8,10-11,14,22,28H,7,9,12H2,(H,23,27)(H,24,25,26)/t14-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335685
PNG
(4-fluoro-2-(4-((3S,4R)-4-(hydroxymethyl)pyrrolidin...)
Show SMILES COc1cc2nc(nc(N[C@@H]3CNC[C@H]3CO)c2cc1OC)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H23FN4O4/c1-29-18-6-13-15(7-19(18)30-2)24-21(14-5-12(22)3-4-17(14)28)26-20(13)25-16-9-23-8-11(16)10-27/h3-7,11,16,23,27-28H,8-10H2,1-2H3,(H,24,25,26)/t11-,16+/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335681
PNG
((S)-4-fluoro-2-(7-(2-methoxyethoxy)-4-(pyrrolidin-...)
Show SMILES COCCOc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H23FN4O3/c1-28-8-9-29-15-3-4-16-18(11-15)25-21(17-10-13(22)2-5-19(17)27)26-20(16)24-14-6-7-23-12-14/h2-5,10-11,14,23,27H,6-9,12H2,1H3,(H,24,25,26)/t14-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335680
PNG
((S)-2-(6,7-dimethoxy-4-(pyrrolidin-3-ylamino)quina...)
Show SMILES COc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1cc(F)ccc1O
Show InChI InChI=1S/C20H21FN4O3/c1-27-17-8-13-15(9-18(17)28-2)24-20(14-7-11(21)3-4-16(14)26)25-19(13)23-12-5-6-22-10-12/h3-4,7-9,12,22,26H,5-6,10H2,1-2H3,(H,23,24,25)/t12-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335686
PNG
(2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3...)
Show SMILES CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(ccc1O)-c1cn[nH]c1
Show InChI InChI=1S/C24H26N6O2/c1-24(2,32)18-12-25-13-20(18)29-22-16-5-3-4-6-19(16)28-23(30-22)17-9-14(7-8-21(17)31)15-10-26-27-11-15/h3-11,18,20,25,31-32H,12-13H2,1-2H3,(H,26,27)(H,28,29,30)/t18-,20-/m1/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335671
PNG
(4-fluoro-2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyr...)
Show SMILES CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H23FN4O2/c1-21(2,28)15-10-23-11-17(15)25-19-13-5-3-4-6-16(13)24-20(26-19)14-9-12(22)7-8-18(14)27/h3-9,15,17,23,27-28H,10-11H2,1-2H3,(H,24,25,26)/t15-,17-/m1/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335678
PNG
((S)-2-(6,7-dimethoxy-4-(pyrrolidin-3-ylamino)quina...)
Show SMILES COc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1ccccc1O
Show InChI InChI=1S/C20H22N4O3/c1-26-17-9-14-15(10-18(17)27-2)23-19(13-5-3-4-6-16(13)25)24-20(14)22-12-7-8-21-11-12/h3-6,9-10,12,21,25H,7-8,11H2,1-2H3,(H,22,23,24)/t12-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335673
PNG
((S)-2-(7-methoxy-4-(pyrrolidin-3-ylamino)quinazoli...)
Show SMILES COc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1ccccc1O
Show InChI InChI=1S/C19H20N4O2/c1-25-13-6-7-14-16(10-13)22-19(15-4-2-3-5-17(15)24)23-18(14)21-12-8-9-20-11-12/h2-7,10,12,20,24H,8-9,11H2,1H3,(H,21,22,23)/t12-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335684
PNG
(4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL...)
Show SMILES COc1cc2nc(nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC)-c1cc(F)ccc1O
Show InChI InChI=1S/C23H27FN4O4/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28)/t15-,17-/m1/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335682
PNG
((S)-4-fluoro-2-(6-methoxy-7-(2-methoxyethoxy)-4-(p...)
Show SMILES COCCOc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1cc(F)ccc1O
Show InChI InChI=1S/C22H25FN4O4/c1-29-7-8-31-20-11-17-15(10-19(20)30-2)21(25-14-5-6-24-12-14)27-22(26-17)16-9-13(23)3-4-18(16)28/h3-4,9-11,14,24,28H,5-8,12H2,1-2H3,(H,25,26,27)/t14-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335670
PNG
(4-fluoro-2-(4-((3S,4R)-4-(hydroxymethyl)pyrrolidin...)
Show SMILES OC[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C19H19FN4O2/c20-12-5-6-17(26)14(7-12)19-22-15-4-2-1-3-13(15)18(24-19)23-16-9-21-8-11(16)10-25/h1-7,11,16,21,25-26H,8-10H2,(H,22,23,24)/t11-,16+/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335656
PNG
((S)-4-fluoro-2-(4-(pyrrolidin-3-ylamino)quinazolin...)
Show SMILES Oc1ccc(F)cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1
Show InChI InChI=1S/C18H17FN4O/c19-11-5-6-16(24)14(9-11)18-22-15-4-2-1-3-13(15)17(23-18)21-12-7-8-20-10-12/h1-6,9,12,20,24H,7-8,10H2,(H,21,22,23)/t12-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335661
PNG
((S)-4-(1H-pyrazol-4-yl)-2-(4-(pyrrolidin-3-ylamino...)
Show SMILES Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N6O/c28-19-6-5-13(14-10-23-24-11-14)9-17(19)21-26-18-4-2-1-3-16(18)20(27-21)25-15-7-8-22-12-15/h1-6,9-11,15,22,28H,7-8,12H2,(H,23,24)(H,25,26,27)/t15-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335657
PNG
((S)-4-chloro-2-(4-(pyrrolidin-3-ylamino)quinazolin...)
Show SMILES Oc1ccc(Cl)cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1
Show InChI InChI=1S/C18H17ClN4O/c19-11-5-6-16(24)14(9-11)18-22-15-4-2-1-3-13(15)17(23-18)21-12-7-8-20-10-12/h1-6,9,12,20,24H,7-8,10H2,(H,21,22,23)/t12-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335675
PNG
((S)-2-(7-(2-methoxyethoxy)-4-(pyrrolidin-3-ylamino...)
Show SMILES COCCOc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1ccccc1O
Show InChI InChI=1S/C21H24N4O3/c1-27-10-11-28-15-6-7-16-18(12-15)24-21(17-4-2-3-5-19(17)26)25-20(16)23-14-8-9-22-13-14/h2-7,12,14,22,26H,8-11,13H2,1H3,(H,23,24,25)/t14-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335677
PNG
((S)-2-(7-(3-hydroxypropyl)-4-(pyrrolidin-3-ylamino...)
Show SMILES OCCCc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1ccccc1O
Show InChI InChI=1S/C21H24N4O2/c26-11-3-4-14-7-8-16-18(12-14)24-21(17-5-1-2-6-19(17)27)25-20(16)23-15-9-10-22-13-15/h1-2,5-8,12,15,22,26-27H,3-4,9-11,13H2,(H,23,24,25)/t15-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335667
PNG
(4-fluoro-2-(4-((3S,5R)-5-(hydroxymethyl)pyrrolidin...)
Show SMILES OC[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C19H19FN4O2/c20-11-5-6-17(26)15(7-11)19-23-16-4-2-1-3-14(16)18(24-19)22-12-8-13(10-25)21-9-12/h1-7,12-13,21,25-26H,8-10H2,(H,22,23,24)/t12-,13+/m0/s1
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n/an/a 81n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335658
PNG
((S)-4-methyl-2-(4-(pyrrolidin-3-ylamino)quinazolin...)
Show SMILES Cc1ccc(O)c(c1)-c1nc(N[C@H]2CCNC2)c2ccccc2n1
Show InChI InChI=1S/C19H20N4O/c1-12-6-7-17(24)15(10-12)19-22-16-5-3-2-4-14(16)18(23-19)21-13-8-9-20-11-13/h2-7,10,13,20,24H,8-9,11H2,1H3,(H,21,22,23)/t13-/m0/s1
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n/an/a 92n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335683
PNG
(4-fluoro-2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyr...)
Show SMILES COCCOc1cc2nc(nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC)-c1cc(F)ccc1O
Show InChI InChI=1S/C25H31FN4O5/c1-25(2,32)17-12-27-13-19(17)29-23-15-10-21(34-4)22(35-8-7-33-3)11-18(15)28-24(30-23)16-9-14(26)5-6-20(16)31/h5-6,9-11,17,19,27,31-32H,7-8,12-13H2,1-4H3,(H,28,29,30)/t17-,19-/m1/s1
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n/an/a 105n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335679
PNG
((S)-2-(6-methoxy-7-(2-methoxyethoxy)-4-(pyrrolidin...)
Show SMILES COCCOc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1ccccc1O
Show InChI InChI=1S/C22H26N4O4/c1-28-9-10-30-20-12-17-16(11-19(20)29-2)22(24-14-7-8-23-13-14)26-21(25-17)15-5-3-4-6-18(15)27/h3-6,11-12,14,23,27H,7-10,13H2,1-2H3,(H,24,25,26)/t14-/m0/s1
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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


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335681
PNG
((S)-4-fluoro-2-(7-(2-methoxyethoxy)-4-(pyrrolidin-...)
Show SMILES COCCOc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H23FN4O3/c1-28-8-9-29-15-3-4-16-18(11-15)25-21(17-10-13(22)2-5-19(17)27)26-20(16)24-14-6-7-23-12-14/h2-5,10-11,14,23,27H,6-9,12H2,1H3,(H,24,25,26)/t14-/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335669
PNG
((3R,4S)-ethyl 4-(2-(5-fluoro-2-hydroxyphenyl)quina...)
Show SMILES CCOC(=O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H21FN4O3/c1-2-29-21(28)15-10-23-11-17(15)25-19-13-5-3-4-6-16(13)24-20(26-19)14-9-12(22)7-8-18(14)27/h3-9,15,17,23,27H,2,10-11H2,1H3,(H,24,25,26)/t15-,17-/m1/s1
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n/an/a 154n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335648
PNG
((S)-2-(4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phe...)
Show SMILES Oc1ccccc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1
Show InChI InChI=1S/C18H18N4O/c23-16-8-4-2-6-14(16)18-21-15-7-3-1-5-13(15)17(22-18)20-12-9-10-19-11-12/h1-8,12,19,23H,9-11H2,(H,20,21,22)/t12-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335651
PNG
((R)-2-(4-(piperidin-3-ylamino)quinazolin-2-yl)phen...)
Show SMILES Oc1ccccc1-c1nc(N[C@@H]2CCCNC2)c2ccccc2n1
Show InChI InChI=1S/C19H20N4O/c24-17-10-4-2-8-15(17)19-22-16-9-3-1-7-14(16)18(23-19)21-13-6-5-11-20-12-13/h1-4,7-10,13,20,24H,5-6,11-12H2,(H,21,22,23)/t13-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335665
PNG
((2R,4S)-4-(2-(2-hydroxyphenyl)quinazolin-4-ylamino...)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1O
Show InChI InChI=1S/C21H23N5O2/c1-26(2)21(28)17-11-13(12-22-17)23-19-14-7-3-5-9-16(14)24-20(25-19)15-8-4-6-10-18(15)27/h3-10,13,17,22,27H,11-12H2,1-2H3,(H,23,24,25)/t13-,17+/m0/s1
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n/an/a 181n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335684
PNG
(4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL...)
Show SMILES COc1cc2nc(nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC)-c1cc(F)ccc1O
Show InChI InChI=1S/C23H27FN4O4/c1-23(2,30)15-10-25-11-17(15)27-21-13-8-19(31-3)20(32-4)9-16(13)26-22(28-21)14-7-12(24)5-6-18(14)29/h5-9,15,17,25,29-30H,10-11H2,1-4H3,(H,26,27,28)/t15-,17-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335680
PNG
((S)-2-(6,7-dimethoxy-4-(pyrrolidin-3-ylamino)quina...)
Show SMILES COc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1cc(F)ccc1O
Show InChI InChI=1S/C20H21FN4O3/c1-27-17-8-13-15(9-18(17)28-2)24-20(14-7-11(21)3-4-16(14)26)25-19(13)23-12-5-6-22-10-12/h3-4,7-9,12,22,26H,5-6,10H2,1-2H3,(H,23,24,25)/t12-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335672
PNG
((S)-2-(6-methoxy-4-(pyrrolidin-3-ylamino)quinazoli...)
Show SMILES COc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O
Show InChI InChI=1S/C19H20N4O2/c1-25-13-6-7-16-15(10-13)19(21-12-8-9-20-11-12)23-18(22-16)14-4-2-3-5-17(14)24/h2-7,10,12,20,24H,8-9,11H2,1H3,(H,21,22,23)/t12-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335660
PNG
((S)-2-(4-(pyrrolidin-3-ylamino)quinazolin-2-yl)-4-...)
Show SMILES Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N4O/c20-19(21,22)11-5-6-16(27)14(9-11)18-25-15-4-2-1-3-13(15)17(26-18)24-12-7-8-23-10-12/h1-6,9,12,23,27H,7-8,10H2,(H,24,25,26)/t12-/m0/s1
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n/an/a 201n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335685
PNG
(4-fluoro-2-(4-((3S,4R)-4-(hydroxymethyl)pyrrolidin...)
Show SMILES COc1cc2nc(nc(N[C@@H]3CNC[C@H]3CO)c2cc1OC)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H23FN4O4/c1-29-18-6-13-15(7-19(18)30-2)24-21(14-5-12(22)3-4-17(14)28)26-20(13)25-16-9-23-8-11(16)10-27/h3-7,11,16,23,27-28H,8-10H2,1-2H3,(H,24,25,26)/t11-,16+/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335654
PNG
(2-(4-(azepan-3-ylamino)quinazolin-2-yl)phenol | CH...)
Show SMILES Oc1ccccc1-c1nc(NC2CCCCNC2)c2ccccc2n1
Show InChI InChI=1S/C20H22N4O/c25-18-11-4-2-9-16(18)20-23-17-10-3-1-8-15(17)19(24-20)22-14-7-5-6-12-21-13-14/h1-4,8-11,14,21,25H,5-7,12-13H2,(H,22,23,24)
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n/an/a 250n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335682
PNG
((S)-4-fluoro-2-(6-methoxy-7-(2-methoxyethoxy)-4-(p...)
Show SMILES COCCOc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1cc(F)ccc1O
Show InChI InChI=1S/C22H25FN4O4/c1-29-7-8-31-20-11-17-15(10-19(20)30-2)21(25-14-5-6-24-12-14)27-22(26-17)16-9-13(23)3-4-18(16)28/h3-4,9-11,14,24,28H,5-8,12H2,1-2H3,(H,25,26,27)/t14-/m0/s1
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n/an/a 260n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335674
PNG
((S)-2-(6-(2-methoxyethoxy)-4-(pyrrolidin-3-ylamino...)
Show SMILES COCCOc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O
Show InChI InChI=1S/C21H24N4O3/c1-27-10-11-28-15-6-7-18-17(12-15)21(23-14-8-9-22-13-14)25-20(24-18)16-4-2-3-5-19(16)26/h2-7,12,14,22,26H,8-11,13H2,1H3,(H,23,24,25)/t14-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335679
PNG
((S)-2-(6-methoxy-7-(2-methoxyethoxy)-4-(pyrrolidin...)
Show SMILES COCCOc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1ccccc1O
Show InChI InChI=1S/C22H26N4O4/c1-28-9-10-30-20-12-17-16(11-19(20)29-2)22(24-14-7-8-23-13-14)26-21(25-17)15-5-3-4-6-18(15)27/h3-6,11-12,14,23,27H,7-10,13H2,1-2H3,(H,24,25,26)/t14-/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335666
PNG
(4-fluoro-2-(4-((3S,5R)-5-(2-hydroxypropan-2-yl)pyr...)
Show SMILES CC(C)(O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H23FN4O2/c1-21(2,28)18-10-13(11-23-18)24-19-14-5-3-4-6-16(14)25-20(26-19)15-9-12(22)7-8-17(15)27/h3-9,13,18,23,27-28H,10-11H2,1-2H3,(H,24,25,26)/t13-,18+/m0/s1
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335653
PNG
((S)-2-(4-(methyl(pyrrolidin-3-yl)amino)quinazolin-...)
Show SMILES CN([C@H]1CCNC1)c1nc(nc2ccccc12)-c1ccccc1O
Show InChI InChI=1S/C19H20N4O/c1-23(13-10-11-20-12-13)19-14-6-2-4-8-16(14)21-18(22-19)15-7-3-5-9-17(15)24/h2-9,13,20,24H,10-12H2,1H3/t13-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335655
PNG
(2-(4-(azepan-4-ylamino)quinazolin-2-yl)phenol | CH...)
Show SMILES Oc1ccccc1-c1nc(NC2CCCNCC2)c2ccccc2n1
Show InChI InChI=1S/C20H22N4O/c25-18-10-4-2-8-16(18)20-23-17-9-3-1-7-15(17)19(24-20)22-14-6-5-12-21-13-11-14/h1-4,7-10,14,21,25H,5-6,11-13H2,(H,22,23,24)
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n/an/a 510n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335676
PNG
((S)-2-(6-(3-hydroxypropyl)-4-(pyrrolidin-3-ylamino...)
Show SMILES OCCCc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O
Show InChI InChI=1S/C21H24N4O2/c26-11-3-4-14-7-8-18-17(12-14)21(23-15-9-10-22-13-15)25-20(24-18)16-5-1-2-6-19(16)27/h1-2,5-8,12,15,22,26-27H,3-4,9-11,13H2,(H,23,24,25)/t15-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335675
PNG
((S)-2-(7-(2-methoxyethoxy)-4-(pyrrolidin-3-ylamino...)
Show SMILES COCCOc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1ccccc1O
Show InChI InChI=1S/C21H24N4O3/c1-27-10-11-28-15-6-7-16-18(12-15)24-21(17-4-2-3-5-19(17)26)25-20(16)23-14-8-9-22-13-14/h2-7,12,14,22,26H,8-11,13H2,1H3,(H,23,24,25)/t14-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335646
PNG
((R)-2-(4-(3-(dimethylamino)pyrrolidin-1-yl)quinazo...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C20H21FN4O/c1-24(2)14-9-10-25(12-14)20-15-5-3-4-6-17(15)22-19(23-20)16-11-13(21)7-8-18(16)26/h3-8,11,14,26H,9-10,12H2,1-2H3/t14-/m1/s1
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n/an/a 860n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335673
PNG
((S)-2-(7-methoxy-4-(pyrrolidin-3-ylamino)quinazoli...)
Show SMILES COc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1ccccc1O
Show InChI InChI=1S/C19H20N4O2/c1-25-13-6-7-14-16(10-13)22-19(15-4-2-3-5-17(15)24)23-18(14)21-12-8-9-20-11-12/h2-7,10,12,20,24H,8-9,11H2,1H3,(H,21,22,23)/t12-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335678
PNG
((S)-2-(6,7-dimethoxy-4-(pyrrolidin-3-ylamino)quina...)
Show SMILES COc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1ccccc1O
Show InChI InChI=1S/C20H22N4O3/c1-26-17-9-14-15(10-18(17)27-2)23-19(13-5-3-4-6-16(13)25)24-20(14)22-12-7-8-21-11-12/h3-6,9-10,12,21,25H,7-8,11H2,1-2H3,(H,22,23,24)/t12-/m0/s1
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n/an/a 870n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335652
PNG
((S)-2-(4-(1-methylpyrrolidin-3-ylamino)quinazolin-...)
Show SMILES CN1CC[C@@H](C1)Nc1nc(nc2ccccc12)-c1ccccc1O
Show InChI InChI=1S/C19H20N4O/c1-23-11-10-13(12-23)20-18-14-6-2-4-8-16(14)21-19(22-18)15-7-3-5-9-17(15)24/h2-9,13,24H,10-12H2,1H3,(H,20,21,22)/t13-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335656
PNG
((S)-4-fluoro-2-(4-(pyrrolidin-3-ylamino)quinazolin...)
Show SMILES Oc1ccc(F)cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1
Show InChI InChI=1S/C18H17FN4O/c19-11-5-6-16(24)14(9-11)18-22-15-4-2-1-3-13(15)17(23-18)21-12-7-8-20-10-12/h1-6,9,12,20,24H,7-8,10H2,(H,21,22,23)/t12-/m0/s1
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n/an/a 990n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335664
PNG
((2R,4S)-methyl 4-(2-o-tolylquinazolin-4-ylamino)py...)
Show SMILES COC(=O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1C
Show InChI InChI=1S/C21H22N4O2/c1-13-7-3-4-8-15(13)19-24-17-10-6-5-9-16(17)20(25-19)23-14-11-18(22-12-14)21(26)27-2/h3-10,14,18,22H,11-12H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335662
PNG
((S)-4-(1H-pyrazol-3-yl)-2-(4-(pyrrolidin-3-ylamino...)
Show SMILES Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)-c1cc[nH]n1
Show InChI InChI=1S/C21H20N6O/c28-19-6-5-13(17-8-10-23-27-17)11-16(19)21-25-18-4-2-1-3-15(18)20(26-21)24-14-7-9-22-12-14/h1-6,8,10-11,14,22,28H,7,9,12H2,(H,23,27)(H,24,25,26)/t14-/m0/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335677
PNG
((S)-2-(7-(3-hydroxypropyl)-4-(pyrrolidin-3-ylamino...)
Show SMILES OCCCc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1ccccc1O
Show InChI InChI=1S/C21H24N4O2/c26-11-3-4-14-7-8-16-18(12-14)24-21(17-5-1-2-6-19(17)27)25-20(16)23-15-9-10-22-13-15/h1-2,5-8,12,15,22,26-27H,3-4,9-11,13H2,(H,23,24,25)/t15-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335650
PNG
((S)-2-(4-(piperidin-3-ylamino)quinazolin-2-yl)phen...)
Show SMILES Oc1ccccc1-c1nc(N[C@H]2CCCNC2)c2ccccc2n1
Show InChI InChI=1S/C19H20N4O/c24-17-10-4-2-8-15(17)19-22-16-9-3-1-7-14(16)18(23-19)21-13-6-5-11-20-12-13/h1-4,7-10,13,20,24H,5-6,11-12H2,(H,21,22,23)/t13-/m0/s1
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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


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335660
PNG
((S)-2-(4-(pyrrolidin-3-ylamino)quinazolin-2-yl)-4-...)
Show SMILES Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N4O/c20-19(21,22)11-5-6-16(27)14(9-11)18-25-15-4-2-1-3-13(15)17(26-18)24-12-7-8-23-10-12/h1-6,9,12,23,27H,7-8,10H2,(H,24,25,26)/t12-/m0/s1
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n/an/a 1.32E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335643
PNG
((R)-2-(4-(3-(dimethylamino)pyrrolidin-1-yl)quinazo...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1nc(nc2ccccc12)-c1ccccc1O
Show InChI InChI=1S/C20H22N4O/c1-23(2)14-11-12-24(13-14)20-15-7-3-5-9-17(15)21-19(22-20)16-8-4-6-10-18(16)25/h3-10,14,25H,11-13H2,1-2H3/t14-/m1/s1
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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 CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335645
PNG
((R)-2-(4-(3-(dimethylamino)pyrrolidin-1-yl)quinazo...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1nc(nc2ccccc12)-c1ccc(F)cc1O
Show InChI InChI=1S/C20H21FN4O/c1-24(2)14-9-10-25(12-14)20-15-5-3-4-6-17(15)22-19(23-20)16-8-7-13(21)11-18(16)26/h3-8,11,14,26H,9-10,12H2,1-2H3/t14-/m1/s1
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n/an/a 1.69E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335659
PNG
((S)-4-isopropyl-2-(4-(pyrrolidin-3-ylamino)quinazo...)
Show SMILES CC(C)c1ccc(O)c(c1)-c1nc(N[C@H]2CCNC2)c2ccccc2n1
Show InChI InChI=1S/C21H24N4O/c1-13(2)14-7-8-19(26)17(11-14)21-24-18-6-4-3-5-16(18)20(25-21)23-15-9-10-22-12-15/h3-8,11,13,15,22,26H,9-10,12H2,1-2H3,(H,23,24,25)/t15-/m0/s1
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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


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335686
PNG
(2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3...)
Show SMILES CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(ccc1O)-c1cn[nH]c1
Show InChI InChI=1S/C24H26N6O2/c1-24(2,32)18-12-25-13-20(18)29-22-16-5-3-4-6-19(16)28-23(30-22)17-9-14(7-8-21(17)31)15-10-26-27-11-15/h3-11,18,20,25,31-32H,12-13H2,1-2H3,(H,26,27)(H,28,29,30)/t18-,20-/m1/s1
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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 CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335667
PNG
(4-fluoro-2-(4-((3S,5R)-5-(hydroxymethyl)pyrrolidin...)
Show SMILES OC[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C19H19FN4O2/c20-11-5-6-17(26)15(7-11)19-23-16-4-2-1-3-14(16)18(24-19)22-12-8-13(10-25)21-9-12/h1-7,12-13,21,25-26H,8-10H2,(H,22,23,24)/t12-,13+/m0/s1
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n/an/a 1.75E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335661
PNG
((S)-4-(1H-pyrazol-4-yl)-2-(4-(pyrrolidin-3-ylamino...)
Show SMILES Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)-c1cn[nH]c1
Show InChI InChI=1S/C21H20N6O/c28-19-6-5-13(14-10-23-24-11-14)9-17(19)21-26-18-4-2-1-3-16(18)20(27-21)25-15-7-8-22-12-15/h1-6,9-11,15,22,28H,7-8,12H2,(H,23,24)(H,25,26,27)/t15-/m0/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335671
PNG
(4-fluoro-2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyr...)
Show SMILES CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H23FN4O2/c1-21(2,28)15-10-23-11-17(15)25-19-13-5-3-4-6-16(13)24-20(26-19)14-9-12(22)7-8-18(14)27/h3-9,15,17,23,27-28H,10-11H2,1-2H3,(H,24,25,26)/t15-,17-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335668
PNG
((3S,4R)-ethyl 4-(2-(5-fluoro-2-hydroxyphenyl)quina...)
Show SMILES CCOC(=O)[C@H]1CNC[C@@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H21FN4O3/c1-2-29-21(28)15-10-23-11-17(15)25-19-13-5-3-4-6-16(13)24-20(26-19)14-9-12(22)7-8-18(14)27/h3-9,15,17,23,27H,2,10-11H2,1H3,(H,24,25,26)/t15-,17-/m0/s1
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n/an/a 2.85E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335648
PNG
((S)-2-(4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phe...)
Show SMILES Oc1ccccc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1
Show InChI InChI=1S/C18H18N4O/c23-16-8-4-2-6-14(16)18-21-15-7-3-1-5-13(15)17(22-18)20-12-9-10-19-11-12/h1-8,12,19,23H,9-11H2,(H,20,21,22)/t12-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335663
PNG
((2S,4S)-methyl 4-(2-(2-hydroxyphenyl)quinazolin-4-...)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1O
Show InChI InChI=1S/C20H20N4O3/c1-27-20(26)16-10-12(11-21-16)22-18-13-6-2-4-8-15(13)23-19(24-18)14-7-3-5-9-17(14)25/h2-9,12,16,21,25H,10-11H2,1H3,(H,22,23,24)/t12-,16-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335687
PNG
(2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3...)
Show SMILES CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(ccc1O)-c1cc[nH]n1
Show InChI InChI=1S/C24H26N6O2/c1-24(2,32)17-12-25-13-20(17)28-22-15-5-3-4-6-19(15)27-23(29-22)16-11-14(7-8-21(16)31)18-9-10-26-30-18/h3-11,17,20,25,31-32H,12-13H2,1-2H3,(H,26,30)(H,27,28,29)/t17-,20-/m1/s1
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n/an/a 4.65E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335674
PNG
((S)-2-(6-(2-methoxyethoxy)-4-(pyrrolidin-3-ylamino...)
Show SMILES COCCOc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O
Show InChI InChI=1S/C21H24N4O3/c1-27-10-11-28-15-6-7-18-17(12-15)21(23-14-8-9-22-13-14)25-20(24-18)16-4-2-3-5-19(16)26/h2-7,12,14,22,26H,8-11,13H2,1H3,(H,23,24,25)/t14-/m0/s1
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n/an/a 5.05E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335649
PNG
((R)-2-(4-(pyrrolidin-3-ylamino)quinazolin-2-yl)phe...)
Show SMILES Oc1ccccc1-c1nc(N[C@@H]2CCNC2)c2ccccc2n1
Show InChI InChI=1S/C18H18N4O/c23-16-8-4-2-6-14(16)18-21-15-7-3-1-5-13(15)17(22-18)20-12-9-10-19-11-12/h1-8,12,19,23H,9-11H2,(H,20,21,22)/t12-/m1/s1
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n/an/a 5.10E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335647
PNG
((R)-2-(4-(3-(dimethylamino)pyrrolidin-1-yl)quinazo...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1nc(nc2ccccc12)-c1c(O)cccc1F
Show InChI InChI=1S/C20H21FN4O/c1-24(2)13-10-11-25(12-13)20-14-6-3-4-8-16(14)22-19(23-20)18-15(21)7-5-9-17(18)26/h3-9,13,26H,10-12H2,1-2H3/t13-/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335665
PNG
((2R,4S)-4-(2-(2-hydroxyphenyl)quinazolin-4-ylamino...)
Show SMILES CN(C)C(=O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1O
Show InChI InChI=1S/C21H23N5O2/c1-26(2)21(28)17-11-13(12-22-17)23-19-14-7-3-5-9-16(14)24-20(25-19)15-8-4-6-10-18(15)27/h3-10,13,17,22,27H,11-12H2,1-2H3,(H,23,24,25)/t13-,17+/m0/s1
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n/an/a 2.05E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335676
PNG
((S)-2-(6-(3-hydroxypropyl)-4-(pyrrolidin-3-ylamino...)
Show SMILES OCCCc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O
Show InChI InChI=1S/C21H24N4O2/c26-11-3-4-14-7-8-18-17(12-14)21(23-15-9-10-22-13-15)25-20(24-18)16-5-1-2-6-19(16)27/h1-2,5-8,12,15,22,26-27H,3-4,9-11,13H2,(H,23,24,25)/t15-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335666
PNG
(4-fluoro-2-(4-((3S,5R)-5-(2-hydroxypropan-2-yl)pyr...)
Show SMILES CC(C)(O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H23FN4O2/c1-21(2,28)18-10-13(11-23-18)24-19-14-5-3-4-6-16(14)25-20(26-19)15-9-12(22)7-8-17(15)27/h3-9,13,18,23,27-28H,10-11H2,1-2H3,(H,24,25,26)/t13-,18+/m0/s1
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n/an/a 2.75E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335669
PNG
((3R,4S)-ethyl 4-(2-(5-fluoro-2-hydroxyphenyl)quina...)
Show SMILES CCOC(=O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H21FN4O3/c1-2-29-21(28)15-10-23-11-17(15)25-19-13-5-3-4-6-16(13)24-20(26-19)14-9-12(22)7-8-18(14)27/h3-9,15,17,23,27H,2,10-11H2,1H3,(H,24,25,26)/t15-,17-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335668
PNG
((3S,4R)-ethyl 4-(2-(5-fluoro-2-hydroxyphenyl)quina...)
Show SMILES CCOC(=O)[C@H]1CNC[C@@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O
Show InChI InChI=1S/C21H21FN4O3/c1-2-29-21(28)15-10-23-11-17(15)25-19-13-5-3-4-6-16(13)24-20(26-19)14-9-12(22)7-8-18(14)27/h3-9,15,17,23,27H,2,10-11H2,1H3,(H,24,25,26)/t15-,17-/m0/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50335644
PNG
((R)-2-(4-(3-(dimethylamino)pyrrolidin-1-yl)quinazo...)
Show SMILES CN(C)[C@@H]1CCN(C1)c1nc(nc2ccccc12)-c1cccc(F)c1O
Show InChI InChI=1S/C20H21FN4O/c1-24(2)13-10-11-25(12-13)20-14-6-3-4-9-17(14)22-19(23-20)15-7-5-8-16(21)18(15)26/h3-9,13,26H,10-12H2,1-2H3/t13-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK2 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50335664
PNG
((2R,4S)-methyl 4-(2-o-tolylquinazolin-4-ylamino)py...)
Show SMILES COC(=O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1C
Show InChI InChI=1S/C21H22N4O2/c1-13-7-3-4-8-15(13)19-24-17-10-6-5-9-16(17)20(25-19)23-14-11-18(22-12-14)21(26)27-2/h3-10,14,18,22H,11-12H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1
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n/an/a 1.04E+5n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CHK1 by DELFIA assay


J Med Chem 54: 580-90 (2011)


Article DOI: 10.1021/jm101150b
BindingDB Entry DOI: 10.7270/Q2DF6RHX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%