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Articleid 6097

Compile data set for download or QSAR
Found 140 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
CHK1_Kinase


(Homo sapiens (Human))
BDBM225375
PNG
(Chk1_144)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(nc3)-c3ccc(O)cc3)-c2cc1OC
Show InChI InChI=1S/C23H19N3O3/c1-28-20-10-15-9-18-22(25-26-23(18)17(15)11-21(20)29-2)14-5-8-19(24-12-14)13-3-6-16(27)7-4-13/h3-8,10-12,27H,9H2,1-2H3,(H,25,26)
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0.299n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225376
PNG
(Chk1_145)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(nc3)C#N)-c2cc1OC
Show InChI InChI=1S/C18H14N4O2/c1-23-15-6-11-5-14-17(10-3-4-12(8-19)20-9-10)21-22-18(14)13(11)7-16(15)24-2/h3-4,6-7,9H,5H2,1-2H3,(H,21,22)
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0.810n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91906
PNG
(Chk1_40)
Show SMILES OC1CCCN(C1)c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H17BrN6O2/c18-11-3-4-15(24-5-1-2-13(25)10-24)14(6-11)22-17(26)23-16-9-20-12(7-19)8-21-16/h3-4,6,8-9,13,25H,1-2,5,10H2,(H2,21,22,23,26)
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1.36n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225366
PNG
(Chk1_115)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3ccc(O)cc3)-c2cc1OC
Show InChI InChI=1S/C24H20N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-10,12-13,27H,11H2,1-2H3,(H,25,26)
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1.60n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM14826
PNG
(1-[5-chloro-2-(tetrahydrofuran-3-yloxy)phenyl]-3-(...)
Show SMILES Clc1ccc(OC2CCOC2)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C16H14ClN5O3/c17-10-1-2-14(25-12-3-4-24-9-12)13(5-10)21-16(23)22-15-8-19-11(6-18)7-20-15/h1-2,5,7-8,12H,3-4,9H2,(H2,20,21,22,23)
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2.95n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM14605
PNG
(1-(4-amino-5-chloro-2-methoxyphenyl)-3-(5-cyanopyr...)
Show SMILES COc1cc(N)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C13H11ClN6O2/c1-22-11-3-9(16)8(14)2-10(11)19-13(21)20-12-6-17-7(4-15)5-18-12/h2-3,5-6H,16H2,1H3,(H2,18,19,20,21)
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3.93n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225362
PNG
(Chk1_104)
Show SMILES OC1CCC(CC1)NC(=O)c1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)
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4.38n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225360
PNG
(Chk1_101)
Show SMILES OCc1ccc2Cc3c(n[nH]c3-c3ccc(cc3)-c3ccc(O)cc3)-c2c1
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-2-18-12-21-22(24-25-23(21)20(18)11-14)17-5-3-15(4-6-17)16-7-9-19(27)10-8-16/h1-11,26-27H,12-13H2,(H,24,25)
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4.40n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91914
PNG
(Chk1_48)
Show SMILES OC1CC(CC1O)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H16ClN5O4/c18-9-1-2-15(27-11-4-13(24)14(25)5-11)12(3-9)22-17(26)23-16-8-20-10(6-19)7-21-16/h1-3,7-8,11,13-14,24-25H,4-5H2,(H2,21,22,23,26)
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4.57n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91859
PNG
(Chk1_136)
Show SMILES COc1cc2NC(=O)c3ccc(cc3Nc2cc1OCc1ccncc1)-c1ccc(c(OC)c1)[N+]([O-])=O
Show InChI InChI=1S/C27H22N4O6/c1-35-24-12-18(4-6-23(24)31(33)34)17-3-5-19-20(11-17)29-21-14-26(37-15-16-7-9-28-10-8-16)25(36-2)13-22(21)30-27(19)32/h3-14,29H,15H2,1-2H3,(H,30,32)
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5.17n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM50221589
PNG
(4-((6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-...)
Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(O)c(OC)c3)-c2cc1OC
Show InChI InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23)
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5.22n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91866
PNG
(Chk1_143)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3cc(CC(=O)NCc4cccs4)ccc3NC2=O)c1
Show InChI InChI=1S/C27H22N4O5S/c1-36-25-14-18(6-9-24(25)31(34)35)17-5-7-20-22(13-17)29-23-11-16(4-8-21(23)30-27(20)33)12-26(32)28-15-19-3-2-10-37-19/h2-11,13-14,29H,12,15H2,1H3,(H,28,32)(H,30,33)
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5.26n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91847
PNG
(Chk1_122)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
Show InChI InChI=1S/C34H33N5O6/c1-34(2,33(41)35-24-7-9-25(10-8-24)38-14-16-45-17-15-38)23-6-12-27-29(20-23)37-32(40)26-11-4-21(18-28(26)36-27)22-5-13-30(39(42)43)31(19-22)44-3/h4-13,18-20,36H,14-17H2,1-3H3,(H,35,41)(H,37,40)
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5.26n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225373
PNG
(Chk1_130)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3ccc(O)cc3)-c2cc1O
Show InChI InChI=1S/C23H18N2O3/c1-28-21-11-16-10-19-22(24-25-23(19)18(16)12-20(21)27)15-4-2-13(3-5-15)14-6-8-17(26)9-7-14/h2-9,11-12,26-27H,10H2,1H3,(H,24,25)
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5.41n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91837
PNG
(Chk1_110)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)c4cn[nH]c4)cc3NC2=O)c1
Show InChI InChI=1S/C24H18N6O5/c1-35-22-9-14(3-7-21(22)30(33)34)13-2-5-17-19(8-13)28-18-6-4-16(10-20(18)29-24(17)32)27-23(31)15-11-25-26-12-15/h2-12,28H,1H3,(H,25,26)(H,27,31)(H,29,32)
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5.48n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91845
PNG
(Chk1_120)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C26H24N4O6/c1-35-24-15-18(4-7-23(24)30(33)34)17-3-5-19-21(14-17)27-20-6-2-16(12-22(20)28-26(19)32)13-25(31)29-8-10-36-11-9-29/h2-7,12,14-15,27H,8-11,13H2,1H3,(H,28,32)
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5.76n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91948
PNG
(Chk1_80)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)N(C)C)cc3NC2=O)c1
Show InChI InChI=1S/C24H22N4O5/c1-27(2)23(29)11-14-4-8-18-20(10-14)26-24(30)17-7-5-15(12-19(17)25-18)16-6-9-21(28(31)32)22(13-16)33-3/h4-10,12-13,25H,11H2,1-3H3,(H,26,30)
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5.79n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225359
PNG
(Chk1_95)
Show SMILES Oc1ccc(cc1)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(O)ccc-21
Show InChI InChI=1S/C22H16N2O2/c25-17-7-5-14(6-8-17)13-1-3-15(4-2-13)21-20-12-16-11-18(26)9-10-19(16)22(20)24-23-21/h1-11,25-26H,12H2,(H,23,24)
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5.90n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91826
PNG
(Chk1_100)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(N)=O)cc3NC2=O)c1
Show InChI InChI=1S/C21H17N5O5/c1-31-19-9-12(3-7-18(19)26(29)30)11-2-5-14-16(8-11)24-15-6-4-13(23-21(22)28)10-17(15)25-20(14)27/h2-10,24H,1H3,(H,25,27)(H3,22,23,28)
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6.41n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91915
PNG
(Chk1_49)
Show SMILES OC1CCC(C1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H16ClN5O3/c18-10-1-4-15(26-13-3-2-12(24)6-13)14(5-10)22-17(25)23-16-9-20-11(7-19)8-21-16/h1,4-5,8-9,12-13,24H,2-3,6H2,(H2,21,22,23,25)
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6.67n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91838
PNG
(Chk1_111)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)CCS(=O)(=O)c4ccccc4)cc3NC2=O)c1
Show InChI InChI=1S/C29H24N4O7S/c1-40-27-16-19(8-12-26(27)33(36)37)18-7-10-22-24(15-18)31-23-11-9-20(17-25(23)32-29(22)35)30-28(34)13-14-41(38,39)21-5-3-2-4-6-21/h2-12,15-17,31H,13-14H2,1H3,(H,30,34)(H,32,35)
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7.17n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91966
PNG
(Chk1_97)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc(OC)ncc1C
Show InChI InChI=1S/C23H21N3O4/c1-13-12-24-21(29-2)11-17(13)15-5-6-16-19(10-15)25-18-7-4-14(9-22(27)30-3)8-20(18)26-23(16)28/h4-8,10-12,25H,9H2,1-3H3,(H,26,28)
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7.79n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225366
PNG
(Chk1_115)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3ccc(O)cc3)-c2cc1OC
Show InChI InChI=1S/C24H20N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-10,12-13,27H,11H2,1-2H3,(H,25,26)
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7.97n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91851
PNG
(Chk1_127)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C21H17N3O4/c1-28-20(26)9-12-2-5-16-18(8-12)24-21(27)15-4-3-13(10-17(15)23-16)14-6-7-22-19(25)11-14/h2-8,10-11,23H,9H2,1H3,(H,22,25)(H,24,27)
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8.64n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225364
PNG
(Chk1_109)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)c4cc[nH]n4)cc3NC2=O)c1
Show InChI InChI=1S/C24H18N6O5/c1-35-22-11-14(3-7-21(22)30(33)34)13-2-5-16-19(10-13)27-17-6-4-15(12-20(17)28-23(16)31)26-24(32)18-8-9-25-29-18/h2-12,27H,1H3,(H,25,29)(H,26,32)(H,28,31)
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9.06n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91953
PNG
(Chk1_85)
Show SMILES OC1CCCC(Oc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)C1O
Show InChI InChI=1S/C18H18ClN5O4/c19-10-4-5-14(28-15-3-1-2-13(25)17(15)26)12(6-10)23-18(27)24-16-9-21-11(7-20)8-22-16/h4-6,8-9,13,15,17,25-26H,1-3H2,(H2,22,23,24,27)
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10.6n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91928
PNG
(Chk1_60)
Show SMILES CN(C)CCN(C)c1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H20ClN7O/c1-24(2)6-7-25(3)15-5-4-12(18)8-14(15)22-17(26)23-16-11-20-13(9-19)10-21-16/h4-5,8,10-11H,6-7H2,1-3H3,(H2,21,22,23,26)
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11.3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91849
PNG
(Chk1_125)
Show SMILES COC(=O)Cc1ccc2Nc3cc(Nc4ccncc4)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C21H18N4O3/c1-28-20(26)11-13-2-5-17-19(10-13)25-21(27)16-4-3-15(12-18(16)24-17)23-14-6-8-22-9-7-14/h2-10,12,24H,11H2,1H3,(H,22,23)(H,25,27)
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11.5n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225370
PNG
(Chk1_123)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3nn[nH]n3)-c2cc1OC
Show InChI InChI=1S/C19H16N6O2/c1-26-15-8-12-7-14-17(20-21-18(14)13(12)9-16(15)27-2)10-3-5-11(6-4-10)19-22-24-25-23-19/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23,24,25)
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11.5n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91904
PNG
(Chk1_38)
Show SMILES Brc1ccc(N2CCCCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C17H17BrN6O/c18-12-4-5-15(24-6-2-1-3-7-24)14(8-12)22-17(25)23-16-11-20-13(9-19)10-21-16/h4-5,8,10-11H,1-3,6-7H2,(H2,21,22,23,25)
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11.5n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91892
PNG
(Chk1_27)
Show SMILES Clc1ccc(OCCCN2C(=O)c3ccccc3C2=O)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C23H17ClN6O4/c24-14-6-7-19(18(10-14)28-23(33)29-20-13-26-15(11-25)12-27-20)34-9-3-8-30-21(31)16-4-1-2-5-17(16)22(30)32/h1-2,4-7,10,12-13H,3,8-9H2,(H2,27,28,29,33)
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13n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91840
PNG
(Chk1_113)
Show SMILES COc1cc(ccc1Cl)-c1ccc2c(Nc3ccc(CC(=O)N4CCCC(O)C4)cc3NC2=O)c1
Show InChI InChI=1S/C27H26ClN3O4/c1-35-25-14-18(6-8-21(25)28)17-5-7-20-23(13-17)29-22-9-4-16(11-24(22)30-27(20)34)12-26(33)31-10-2-3-19(32)15-31/h4-9,11,13-14,19,29,32H,2-3,10,12,15H2,1H3,(H,30,34)
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14.8n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91938
PNG
(Chk1_7)
Show SMILES COc1ccc(Cl)cc1NC(=O)Nc1ccc(cn1)C(N)=O
Show InChI InChI=1S/C14H13ClN4O3/c1-22-11-4-3-9(15)6-10(11)18-14(21)19-12-5-2-8(7-17-12)13(16)20/h2-7H,1H3,(H2,16,20)(H2,17,18,19,21)
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15.4n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91968
PNG
(Chk1_99)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(N)cc3NC2=O)c1
Show InChI InChI=1S/C20H16N4O4/c1-28-19-9-12(3-7-18(19)24(26)27)11-2-5-14-16(8-11)22-15-6-4-13(21)10-17(15)23-20(14)25/h2-10,22H,21H2,1H3,(H,23,25)
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16.6n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225369
PNG
(Chk1_118)
Show SMILES COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(ccc-21)C(=O)NC1CCC(O)CC1
Show InChI InChI=1S/C30H29N3O4/c1-37-27-16-19(7-13-26(27)35)17-2-4-18(5-3-17)28-25-15-21-14-20(6-12-24(21)29(25)33-32-28)30(36)31-22-8-10-23(34)11-9-22/h2-7,12-14,16,22-23,34-35H,8-11,15H2,1H3,(H,31,36)(H,32,33)
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18.7n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225338
PNG
(Chk1_20)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C25H27N3O2/c1-15-2-9-20(10-3-15)26-14-16-4-11-21-19(12-16)13-22-23(27-28-24(21)22)17-5-7-18(8-6-17)25(29)30/h4-8,11-12,15,20,26H,2-3,9-10,13-14H2,1H3,(H,27,28)(H,29,30)
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19.9n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91941
PNG
(Chk1_72)
Show SMILES O=C(Nc1cnc(cn1)C#N)Nc1cc2ccccc2cn1
Show InChI InChI=1S/C15H10N6O/c16-6-12-8-19-14(9-17-12)21-15(22)20-13-5-10-3-1-2-4-11(10)7-18-13/h1-5,7-9H,(H2,18,19,20,21,22)
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20.6n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225374
PNG
(Chk1_135)
Show SMILES CCc1ccc(CCOc2cc3Cc4c(n[nH]c4-c4ccc(cc4)-c4ccc(O)cc4)-c3cc2OC)nc1
Show InChI InChI=1S/C32H29N3O3/c1-3-20-4-11-25(33-19-20)14-15-38-30-17-24-16-28-31(34-35-32(28)27(24)18-29(30)37-2)23-7-5-21(6-8-23)22-9-12-26(36)13-10-22/h4-13,17-19,36H,3,14-16H2,1-2H3,(H,34,35)
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23.1n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225356
PNG
(Chk1_90)
Show SMILES O=C(Nc1cc([nH]n1)-c1ccccc1)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C15H11N7O/c16-7-11-8-18-14(9-17-11)20-15(23)19-13-6-12(21-22-13)10-4-2-1-3-5-10/h1-6,8-9H,(H3,18,19,20,21,22,23)
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23.2n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225333
PNG
(Chk1_4)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(O)cc3)-c2cc1OC
Show InChI InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)
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23.9n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225365
PNG
(Chk1_114)
Show SMILES CNC(=O)c1ccc2Cc3c(n[nH]c3-c3ccc(cc3)C(O)=O)-c2c1
Show InChI InChI=1S/C19H15N3O3/c1-20-18(23)13-7-6-12-8-15-16(21-22-17(15)14(12)9-13)10-2-4-11(5-3-10)19(24)25/h2-7,9H,8H2,1H3,(H,20,23)(H,21,22)(H,24,25)
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23.9n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91844
PNG
(Chk1_119)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(OCCN4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C26H26N4O6/c1-34-25-15-18(3-7-24(25)30(32)33)17-2-5-20-22(14-17)27-21-6-4-19(16-23(21)28-26(20)31)36-13-10-29-8-11-35-12-9-29/h2-7,14-16,27H,8-13H2,1H3,(H,28,31)
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24.5n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91955
PNG
(Chk1_87)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(CC(=O)NC(CO)c4ccccc4)cc3NC2=O)c1
Show InChI InChI=1S/C30H26N4O6/c1-40-28-16-21(9-12-27(28)34(38)39)20-8-10-22-24(15-20)31-23-11-7-18(13-25(23)33-30(22)37)14-29(36)32-26(17-35)19-5-3-2-4-6-19/h2-13,15-16,26,31,35H,14,17H2,1H3,(H,32,36)(H,33,37)
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26.9n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91883
PNG
(Chk1_19)
Show SMILES Clc1ccc(OC2CCNC2)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C16H15ClN6O2/c17-10-1-2-14(25-12-3-4-19-8-12)13(5-10)22-16(24)23-15-9-20-11(6-18)7-21-15/h1-2,5,7,9,12,19H,3-4,8H2,(H2,21,22,23,24)
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27.4n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91956
PNG
(Chk1_88)
Show SMILES Oc1cccc2cc(NC(=O)Nc3cnc(cn3)C#N)ccc12
Show InChI InChI=1S/C16H11N5O2/c17-7-12-8-19-15(9-18-12)21-16(23)20-11-4-5-13-10(6-11)2-1-3-14(13)22/h1-6,8-9,22H,(H2,19,20,21,23)
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32n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91911
PNG
(Chk1_45)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2CO)c1
Show InChI InChI=1S/C26H25N3O5/c1-34-24-13-16(6-9-23(24)31)15-4-7-19-21(11-15)27-20-8-5-17(12-22(20)28-25(19)32)26(33)29-10-2-3-18(29)14-30/h4-9,11-13,18,27,30-31H,2-3,10,14H2,1H3,(H,28,32)
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37.8n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91957
PNG
(Chk1_89)
Show SMILES OC(=O)c1ccc2cc(NC(=O)Nc3cnc(cn3)C#N)ccc2c1
Show InChI InChI=1S/C17H11N5O3/c18-7-14-8-20-15(9-19-14)22-17(25)21-13-4-3-10-5-12(16(23)24)2-1-11(10)6-13/h1-6,8-9H,(H,23,24)(H2,20,21,22,25)
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40.4n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91842
PNG
(Chk1_117)
Show SMILES COC(=O)Cc1ccc2Nc3cc(c(C)cc3C(=O)Nc2c1)-c1ccc(c(OC)c1)[N+]([O-])=O
Show InChI InChI=1S/C24H21N3O6/c1-13-8-17-19(12-16(13)15-5-7-21(27(30)31)22(11-15)32-2)25-18-6-4-14(10-23(28)33-3)9-20(18)26-24(17)29/h4-9,11-12,25H,10H2,1-3H3,(H,26,29)
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49.4n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225354
PNG
(Chk1_74)
Show SMILES ONC(=O)c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21
Show InChI InChI=1S/C24H26N4O3/c29-19-8-6-18(7-9-19)25-13-14-1-10-20-17(11-14)12-21-22(26-27-23(20)21)15-2-4-16(5-3-15)24(30)28-31/h1-5,10-11,18-19,25,29,31H,6-9,12-13H2,(H,26,27)(H,28,30)
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55n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91831
PNG
(Chk1_105)
Show SMILES COc1cc(NC(=O)CCCCCCC(O)=O)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H23ClN6O5/c1-33-17-9-15(26-19(29)6-4-2-3-5-7-20(30)31)14(22)8-16(17)27-21(32)28-18-12-24-13(10-23)11-25-18/h8-9,11-12H,2-7H2,1H3,(H,26,29)(H,30,31)(H2,25,27,28,32)
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57.9n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225361
PNG
(Chk1_103)
Show SMILES CC(=O)Nc1cccc(c1)-c1[nH]nc-2c1Cc1cc(ccc-21)C(N)=O
Show InChI InChI=1S/C19H16N4O2/c1-10(24)21-14-4-2-3-11(8-14)17-16-9-13-7-12(19(20)25)5-6-15(13)18(16)23-22-17/h2-8H,9H2,1H3,(H2,20,25)(H,21,24)(H,22,23)
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58.7n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225355
PNG
(Chk1_78)
Show SMILES COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21
Show InChI InChI=1S/C30H31N3O3/c1-36-28-16-21(7-13-27(28)35)19-3-5-20(6-4-19)29-26-15-22-14-18(2-12-25(22)30(26)33-32-29)17-31-23-8-10-24(34)11-9-23/h2-7,12-14,16,23-24,31,34-35H,8-11,15,17H2,1H3,(H,32,33)
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59.4n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91834
PNG
(Chk1_108)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)Cc4cnc[nH]4)cc3NC2=O)c1
Show InChI InChI=1S/C25H20N6O5/c1-36-23-9-15(3-7-22(23)31(34)35)14-2-5-18-20(8-14)29-19-6-4-16(10-21(19)30-25(18)33)28-24(32)11-17-12-26-13-27-17/h2-10,12-13,29H,11H2,1H3,(H,26,27)(H,28,32)(H,30,33)
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64.2n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91846
PNG
(Chk1_121)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1cc2Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC(=O)c2cc1C
Show InChI InChI=1S/C33H31N5O6/c1-20-15-26-28(19-25(20)22-4-10-30(38(41)42)31(18-22)43-2)35-27-9-3-21(16-29(27)36-33(26)40)17-32(39)34-23-5-7-24(8-6-23)37-11-13-44-14-12-37/h3-10,15-16,18-19,35H,11-14,17H2,1-2H3,(H,34,39)(H,36,40)
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64.4n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91926
PNG
(Chk1_59)
Show SMILES Clc1ccc(OCC2CCCCC2)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C19H20ClN5O2/c20-14-6-7-17(27-12-13-4-2-1-3-5-13)16(8-14)24-19(26)25-18-11-22-15(9-21)10-23-18/h6-8,10-11,13H,1-5,12H2,(H2,23,24,25,26)
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65.7n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91839
PNG
(Chk1_112)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(NC(=O)c4ccccn4)cc3NC2=O)c1
Show InChI InChI=1S/C26H19N5O5/c1-36-24-13-16(6-10-23(24)31(34)35)15-5-8-18-21(12-15)29-19-9-7-17(14-22(19)30-25(18)32)28-26(33)20-4-2-3-11-27-20/h2-14,29H,1H3,(H,28,33)(H,30,32)
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66.6n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91828
PNG
(Chk1_102)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cncn1C
Show InChI InChI=1S/C20H18N4O3/c1-24-11-21-10-18(24)13-4-5-14-16(9-13)22-15-6-3-12(8-19(25)27-2)7-17(15)23-20(14)26/h3-7,9-11,22H,8H2,1-2H3,(H,23,26)
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75.6n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91939
PNG
(Chk1_70)
Show SMILES COc1cc(ccc1C(O)=O)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C21H16N2O4/c1-27-19-11-13(7-9-15(19)21(25)26)12-6-8-14-18(10-12)22-16-4-2-3-5-17(16)23-20(14)24/h2-11,22H,1H3,(H,23,24)(H,25,26)
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76.8n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225372
PNG
(Chk1_128)
Show SMILES COc1cc(\C=C\c2[nH]nc-3c2Cc2ccccc-32)ccc1O
Show InChI InChI=1S/C19H16N2O2/c1-23-18-10-12(7-9-17(18)22)6-8-16-15-11-13-4-2-3-5-14(13)19(15)21-20-16/h2-10,22H,11H2,1H3,(H,20,21)/b8-6+
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96.6n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91899
PNG
(Chk1_33)
Show SMILES OC(=O)Cc1ccc2Nc3cc(Cl)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C15H11ClN2O3/c16-9-2-3-10-12(7-9)17-11-4-1-8(6-14(19)20)5-13(11)18-15(10)21/h1-5,7,17H,6H2,(H,18,21)(H,19,20)
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106n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91902
PNG
(Chk1_36)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)c1
Show InChI InChI=1S/C28H30N4O5/c1-36-26-17-19(5-8-25(26)33)18-3-6-21-23(15-18)30-22-7-4-20(16-24(22)31-28(21)35)27(34)29-9-2-10-32-11-13-37-14-12-32/h3-8,15-17,30,33H,2,9-14H2,1H3,(H,29,34)(H,31,35)
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121n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225342
PNG
(Chk1_44 | Chk1_46)
Show SMILES OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(O)cc2)c1
Show InChI InChI=1S/C23H25N3O2/c27-18-6-2-15(3-7-18)22-21-12-16-11-14(1-10-20(16)23(21)26-25-22)13-24-17-4-8-19(28)9-5-17/h1-3,6-7,10-11,17,19,24,27-28H,4-5,8-9,12-13H2,(H,25,26)
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122n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91887
PNG
(Chk1_22)
Show SMILES COC(=O)C1CCCN1C(=O)c1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(O)c(OC)c1
Show InChI InChI=1S/C27H25N3O6/c1-35-24-14-16(7-10-23(24)31)15-5-8-18-20(12-15)28-19-9-6-17(13-21(19)29-25(18)32)26(33)30-11-3-4-22(30)27(34)36-2/h5-10,12-14,22,28,31H,3-4,11H2,1-2H3,(H,29,32)
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128n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91903
PNG
(Chk1_37)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3ccc(cc3NC2=O)C(=O)N2CCCC2C(O)=O)c1
Show InChI InChI=1S/C26H23N3O6/c1-35-23-13-15(6-9-22(23)30)14-4-7-17-19(11-14)27-18-8-5-16(12-20(18)28-24(17)31)25(32)29-10-2-3-21(29)26(33)34/h4-9,11-13,21,27,30H,2-3,10H2,1H3,(H,28,31)(H,33,34)
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139n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91951
PNG
(Chk1_83)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ccc(cc3NC2=O)-c2cccc(N)c2)c1
Show InChI InChI=1S/C26H20N4O4/c1-34-25-14-18(7-10-24(25)30(32)33)16-5-8-20-22(12-16)28-21-9-6-17(13-23(21)29-26(20)31)15-3-2-4-19(27)11-15/h2-14,28H,27H2,1H3,(H,29,31)
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146n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91942
PNG
(Chk1_73)
Show SMILES OC(=O)c1ccc(NC(=O)Nc2cnc(cn2)C#N)c(OC(F)(F)F)c1
Show InChI InChI=1S/C14H8F3N5O4/c15-14(16,17)26-10-3-7(12(23)24)1-2-9(10)21-13(25)22-11-6-19-8(4-18)5-20-11/h1-3,5-6H,(H,23,24)(H2,20,21,22,25)
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168n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225341
PNG
(Chk1_25)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C30H31N3O/c1-19-2-11-25(12-3-19)31-18-20-4-15-27-24(16-20)17-28-29(32-33-30(27)28)23-7-5-21(6-8-23)22-9-13-26(34)14-10-22/h4-10,13-16,19,25,31,34H,2-3,11-12,17-18H2,1H3,(H,32,33)
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173n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225333
PNG
(Chk1_4)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(O)cc3)-c2cc1OC
Show InChI InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)
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178n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91929
PNG
(Chk1_61)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H17N3O3/c1-29-22(27)11-14-5-8-19-21(10-14)26-23(28)18-7-6-17(12-20(18)25-19)16-4-2-3-15(9-16)13-24/h2-10,12,25H,11H2,1H3,(H,26,28)
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192n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91886
PNG
(Chk1_21)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3c(O)cccc3NC2=O)c1
Show InChI InChI=1S/C20H16N2O4/c1-26-18-10-12(6-8-16(18)23)11-5-7-13-15(9-11)21-19-14(22-20(13)25)3-2-4-17(19)24/h2-10,21,23-24H,1H3,(H,22,25)
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205n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225353
PNG
(Chk1_68)
Show SMILES OCC(O)CNC(=O)c1ccc(o1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21
Show InChI InChI=1S/C25H30N4O5/c30-13-18(32)12-27-25(33)22-8-7-21(34-22)24-20-10-15-9-14(1-6-19(15)23(20)28-29-24)11-26-16-2-4-17(31)5-3-16/h1,6-9,16-18,26,30-32H,2-5,10-13H2,(H,27,33)(H,28,29)
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237n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91924
PNG
(Chk1_57)
Show SMILES NNC(=O)c1ccc(s1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21
Show InChI InChI=1S/C22H25N5O2S/c23-25-22(29)19-8-7-18(30-19)21-17-10-13-9-12(1-6-16(13)20(17)26-27-21)11-24-14-2-4-15(28)5-3-14/h1,6-9,14-15,24,28H,2-5,10-11,23H2,(H,25,29)(H,26,27)
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247n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91901
PNG
(Chk1_35)
Show SMILES OC(=O)c1ccc(Cl)cc1Nc1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C20H14ClN3O3/c21-11-5-7-14(20(26)27)17(9-11)22-12-6-8-13-18(10-12)23-15-3-1-2-4-16(15)24-19(13)25/h1-10,22-23H,(H,24,25)(H,26,27)
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263n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225352
PNG
(Chk1_67)
Show SMILES OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccoc2)c1
Show InChI InChI=1S/C21H23N3O2/c25-17-4-2-16(3-5-17)22-11-13-1-6-18-15(9-13)10-19-20(23-24-21(18)19)14-7-8-26-12-14/h1,6-9,12,16-17,22,25H,2-5,10-11H2,(H,23,24)
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272n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91908
PNG
(Chk1_42)
Show SMILES OC1CCN(C1)c1ccc(cc1NC(=O)Nc1cnc(cn1)C#N)C#N
Show InChI InChI=1S/C17H15N7O2/c18-6-11-1-2-15(24-4-3-13(25)10-24)14(5-11)22-17(26)23-16-9-20-12(7-19)8-21-16/h1-2,5,8-9,13,25H,3-4,10H2,(H2,21,22,23,26)
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311n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91933
PNG
(Chk1_65)
Show SMILES COc1cc(ccn1)-c1ccc2c(Nc3ccc(CC(O)=O)cc3NC2=O)c1
Show InChI InChI=1S/C21H17N3O4/c1-28-19-11-14(6-7-22-19)13-3-4-15-17(10-13)23-16-5-2-12(9-20(25)26)8-18(16)24-21(15)27/h2-8,10-11,23H,9H2,1H3,(H,24,27)(H,25,26)
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369n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91917
PNG
(Chk1_50)
Show SMILES CCOC(=O)CCCCCOc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C20H22ClN5O4/c1-2-29-19(27)6-4-3-5-9-30-17-8-7-14(21)10-16(17)25-20(28)26-18-13-23-15(11-22)12-24-18/h7-8,10,12-13H,2-6,9H2,1H3,(H2,24,25,26,28)
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380n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225350
PNG
(Chk1_62)
Show SMILES COC(=O)c1ccc(o1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21
Show InChI InChI=1S/C23H25N3O4/c1-29-23(28)20-9-8-19(30-20)22-18-11-14-10-13(2-7-17(14)21(18)25-26-22)12-24-15-3-5-16(27)6-4-15/h2,7-10,15-16,24,27H,3-6,11-12H2,1H3,(H,25,26)
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390n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91907
PNG
(Chk1_41)
Show SMILES CN(CC(O)c1ccccc1)c1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H19ClN6O2/c1-28(13-19(29)14-5-3-2-4-6-14)18-8-7-15(22)9-17(18)26-21(30)27-20-12-24-16(10-23)11-25-20/h2-9,11-12,19,29H,13H2,1H3,(H2,25,26,27,30)
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423n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225340
PNG
(Chk1_24)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc3cc(O)ccc3c2)c1
Show InChI InChI=1S/C28H29N3O/c1-17-2-8-23(9-3-17)29-16-18-4-11-25-22(12-18)15-26-27(30-31-28(25)26)21-6-5-20-14-24(32)10-7-19(20)13-21/h4-7,10-14,17,23,29,32H,2-3,8-9,15-16H2,1H3,(H,30,31)
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459n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91919
PNG
(Chk1_52)
Show SMILES Cc1ccc(s1)-c1[nH]nc-2c1Cc1cc(CNC3CCC(O)CC3)ccc-21
Show InChI InChI=1S/C22H25N3OS/c1-13-2-9-20(27-13)22-19-11-15-10-14(3-8-18(15)21(19)24-25-22)12-23-16-4-6-17(26)7-5-16/h2-3,8-10,16-17,23,26H,4-7,11-12H2,1H3,(H,24,25)
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500n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91854
PNG
(Chk1_13)
Show SMILES Nc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C12H9ClN6O/c13-7-1-2-9(15)10(3-7)18-12(20)19-11-6-16-8(4-14)5-17-11/h1-3,5-6H,15H2,(H2,17,18,19,20)
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535n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91856
PNG
(Chk1_132)
Show SMILES Fc1cc(ccc1Cl)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
Show InChI InChI=1S/C31H26ClFN4O3/c32-25-9-3-20(17-26(25)33)21-2-8-24-28(18-21)35-27-10-1-19(15-29(27)36-31(24)39)16-30(38)34-22-4-6-23(7-5-22)37-11-13-40-14-12-37/h1-10,15,17-18,35H,11-14,16H2,(H,34,38)(H,36,39)
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777n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91931
PNG
(Chk1_63)
Show SMILES OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(s2)-c2ccc(C=O)s2)c1
Show InChI InChI=1S/C26H25N3O2S2/c30-14-19-6-8-22(32-19)23-9-10-24(33-23)26-21-12-16-11-15(1-7-20(16)25(21)28-29-26)13-27-17-2-4-18(31)5-3-17/h1,6-11,14,17-18,27,31H,2-5,12-13H2,(H,28,29)
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949n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91891
PNG
(Chk1_26)
Show SMILES CCCN(CC)c1ccc(cc1NC(=O)Nc1cnc(cn1)C#N)C#N
Show InChI InChI=1S/C18H19N7O/c1-3-7-25(4-2)16-6-5-13(9-19)8-15(16)23-18(26)24-17-12-21-14(10-20)11-22-17/h5-6,8,11-12H,3-4,7H2,1-2H3,(H2,22,23,24,26)
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1.07E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91947
PNG
(Chk1_79)
Show SMILES COc1ccc(Cl)cc1NC(=O)Nc1ccc(I)cn1
Show InChI InChI=1S/C13H11ClIN3O2/c1-20-11-4-2-8(14)6-10(11)17-13(19)18-12-5-3-9(15)7-16-12/h2-7H,1H3,(H2,16,17,18,19)
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1.09E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225363
PNG
(Chk1_106)
Show SMILES Oc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)-c2cc[nH]c(=O)c2)c1
Show InChI InChI=1S/C21H15N3O2/c25-16-5-6-17-15(9-16)10-18-20(23-24-21(17)18)13-3-1-12(2-4-13)14-7-8-22-19(26)11-14/h1-9,11,25H,10H2,(H,22,26)(H,23,24)
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1.25E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91945
PNG
(Chk1_77)
Show SMILES CC(C)(C)OC(=O)N1CCC(C1)Oc1ccc(cc1NC(=O)Nc1cnc(cn1)C#N)C#N
Show InChI InChI=1S/C22H23N7O4/c1-22(2,3)33-21(31)29-7-6-16(13-29)32-18-5-4-14(9-23)8-17(18)27-20(30)28-19-12-25-15(10-24)11-26-19/h4-5,8,11-12,16H,6-7,13H2,1-3H3,(H2,26,27,28,30)
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1.53E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225351
PNG
(Chk1_66)
Show SMILES OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(o2)C(O)=O)c1
Show InChI InChI=1S/C22H23N3O4/c26-15-4-2-14(3-5-15)23-11-12-1-6-16-13(9-12)10-17-20(16)24-25-21(17)18-7-8-19(29-18)22(27)28/h1,6-9,14-15,23,26H,2-5,10-11H2,(H,24,25)(H,27,28)
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1.56E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91967
PNG
(Chk1_98)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(c1)N(C)c1ccccc1NC2=O
Show InChI InChI=1S/C21H17N3O4/c1-23-17-6-4-3-5-16(17)22-21(25)15-9-7-13(11-19(15)23)14-8-10-18(24(26)27)20(12-14)28-2/h3-12H,1-2H3,(H,22,25)
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1.64E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225346
PNG
(Chk1_53)
Show SMILES OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc[nH]2)c1
Show InChI InChI=1S/C21H24N4O/c26-16-6-4-15(5-7-16)23-12-13-3-8-17-14(10-13)11-18-20(17)24-25-21(18)19-2-1-9-22-19/h1-3,8-10,15-16,22-23,26H,4-7,11-12H2,(H,24,25)
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1.66E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225342
PNG
(Chk1_44 | Chk1_46)
Show SMILES OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc(O)cc2)c1
Show InChI InChI=1S/C23H25N3O2/c27-18-6-2-15(3-7-18)22-21-12-16-11-14(1-10-20(16)23(21)26-25-22)13-24-17-4-8-19(28)9-5-17/h1-3,6-7,10-11,17,19,24,27-28H,4-5,8-9,12-13H2,(H,25,26)
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1.79E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91900
PNG
(Chk1_34)
Show SMILES COc1ccc(Cl)cc1NC(=O)Nc1cc(C(O)=O)c(cn1)C#N
Show InChI InChI=1S/C15H11ClN4O4/c1-24-12-3-2-9(16)4-11(12)19-15(23)20-13-5-10(14(21)22)8(6-17)7-18-13/h2-5,7H,1H3,(H,21,22)(H2,18,19,20,23)
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1.91E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225344
PNG
(Chk1_47)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccccc2F)c1
Show InChI InChI=1S/C24H26FN3/c1-15-6-9-18(10-7-15)26-14-16-8-11-19-17(12-16)13-21-23(19)27-28-24(21)20-4-2-3-5-22(20)25/h2-5,8,11-12,15,18,26H,6-7,9-10,13-14H2,1H3,(H,27,28)
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2.07E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225335
PNG
(Chk1_15)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc3OCOc3c2)c1
Show InChI InChI=1S/C25H27N3O2/c1-15-2-6-19(7-3-15)26-13-16-4-8-20-18(10-16)11-21-24(27-28-25(20)21)17-5-9-22-23(12-17)30-14-29-22/h4-5,8-10,12,15,19,26H,2-3,6-7,11,13-14H2,1H3,(H,27,28)
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2.10E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91932
PNG
(Chk1_64)
Show SMILES OC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H15N3O5/c25-20(26)9-12-4-7-17-19(8-12)23-21(27)16-6-5-14(11-18(16)22-17)13-2-1-3-15(10-13)24(28)29/h1-8,10-11,22H,9H2,(H,23,27)(H,25,26)
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2.19E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91860
PNG
(Chk1_137)
Show SMILES COC(=O)Cc1ccc2Nc3cc(N)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C16H15N3O3/c1-22-15(20)7-9-2-5-12-14(6-9)19-16(21)11-4-3-10(17)8-13(11)18-12/h2-6,8,18H,7,17H2,1H3,(H,19,21)
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2.44E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91891
PNG
(Chk1_26)
Show SMILES CCCN(CC)c1ccc(cc1NC(=O)Nc1cnc(cn1)C#N)C#N
Show InChI InChI=1S/C18H19N7O/c1-3-7-25(4-2)16-6-5-13(9-19)8-15(16)23-18(26)24-17-12-21-14(10-20)11-22-17/h5-6,8,11-12H,3-4,7H2,1-2H3,(H2,22,23,24,26)
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2.78E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91905
PNG
(Chk1_39)
Show SMILES CCC1CCCCN1c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C19H21BrN6O/c1-2-15-5-3-4-8-26(15)17-7-6-13(20)9-16(17)24-19(27)25-18-12-22-14(10-21)11-23-18/h6-7,9,11-12,15H,2-5,8H2,1H3,(H2,23,24,25,27)
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3.26E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91965
PNG
(Chk1_96)
Show SMILES COc1cc(ccc1C(=O)N1CCCC1CO)-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C26H25N3O4/c1-33-24-14-17(9-11-20(24)26(32)29-12-4-5-18(29)15-30)16-8-10-19-23(13-16)27-21-6-2-3-7-22(21)28-25(19)31/h2-3,6-11,13-14,18,27,30H,4-5,12,15H2,1H3,(H,28,31)
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3.59E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225337
PNG
(Chk1_17)
Show SMILES CCN1CCN(Cc2ccc3Cc4c(n[nH]c4-c4cccc(OC)c4)-c3c2)CC1
Show InChI InChI=1S/C24H28N4O/c1-3-27-9-11-28(12-10-27)16-17-7-8-18-15-22-23(25-26-24(22)21(18)13-17)19-5-4-6-20(14-19)29-2/h4-8,13-14H,3,9-12,15-16H2,1-2H3,(H,25,26)
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3.95E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91897
PNG
(Chk1_31)
Show SMILES CC(C)c1ccc(COc2ccc(Cl)cc2NC(=O)Nc2cnc(cn2)C#N)cc1
Show InChI InChI=1S/C22H20ClN5O2/c1-14(2)16-5-3-15(4-6-16)13-30-20-8-7-17(23)9-19(20)27-22(29)28-21-12-25-18(10-24)11-26-21/h3-9,11-12,14H,13H2,1-2H3,(H2,26,27,28,29)
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6.05E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91833
PNG
(Chk1_107)
Show SMILES COc1cc(NC(=O)C(=O)c2c[nH]c3ccccc23)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H16ClN7O4/c1-35-19-7-17(29-22(33)21(32)14-10-27-16-5-3-2-4-13(14)16)15(24)6-18(19)30-23(34)31-20-11-26-12(8-25)9-28-20/h2-7,9-11,27H,1H3,(H,29,33)(H2,28,30,31,34)
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6.54E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91961
PNG
(Chk1_92)
Show SMILES OC(C(O)=O)c1ccc2Nc3cc(Cl)ccc3C(=O)Nc2c1
Show InChI InChI=1S/C15H11ClN2O4/c16-8-2-3-9-11(6-8)17-10-4-1-7(13(19)15(21)22)5-12(10)18-14(9)20/h1-6,13,17,19H,(H,18,20)(H,21,22)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91896
PNG
(Chk1_30)
Show SMILES COc1ccc(Br)cc1COc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C20H15BrClN5O3/c1-29-17-4-2-13(21)6-12(17)11-30-18-5-3-14(22)7-16(18)26-20(28)27-19-10-24-15(8-23)9-25-19/h2-7,9-10H,11H2,1H3,(H2,25,26,27,28)
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7.02E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91855
PNG
(Chk1_131)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cn(C)cn1
Show InChI InChI=1S/C20H18N4O3/c1-24-10-18(21-11-24)13-4-5-14-16(9-13)22-15-6-3-12(8-19(25)27-2)7-17(15)23-20(14)26/h3-7,9-11,22H,8H2,1-2H3,(H,23,26)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91949
PNG
(Chk1_81)
Show SMILES CC(C)(C)OC(=O)NCCCCOc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H25ClN6O4/c1-21(2,3)32-20(30)24-8-4-5-9-31-17-7-6-14(22)10-16(17)27-19(29)28-18-13-25-15(11-23)12-26-18/h6-7,10,12-13H,4-5,8-9H2,1-3H3,(H,24,30)(H2,26,27,28,29)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225348
PNG
(Chk1_55)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccccc2N)c1
Show InChI InChI=1S/C24H28N4/c1-15-6-9-18(10-7-15)26-14-16-8-11-19-17(12-16)13-21-23(19)27-28-24(21)20-4-2-3-5-22(20)25/h2-5,8,11-12,15,18,26H,6-7,9-10,13-14,25H2,1H3,(H,27,28)
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8.90E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225336
PNG
(Chk1_16)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2cc(C)cc(C)c2)c1
Show InChI InChI=1S/C26H31N3/c1-16-4-7-22(8-5-16)27-15-19-6-9-23-20(13-19)14-24-25(28-29-26(23)24)21-11-17(2)10-18(3)12-21/h6,9-13,16,22,27H,4-5,7-8,14-15H2,1-3H3,(H,28,29)
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9.85E+3n/an/an/an/an/an/an/an/a



D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91958
PNG
(Chk1_9)
Show SMILES [O-][N+](=O)c1ccc(NC(=O)Nc2cnc(cn2)C#N)cc1
Show InChI InChI=1S/C12H8N6O3/c13-5-9-6-15-11(7-14-9)17-12(19)16-8-1-3-10(4-2-8)18(20)21/h1-4,6-7H,(H2,15,16,17,19)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225357
PNG
(Chk1_93)
Show SMILES Oc1cc(NC(=O)Nc2cnc(cn2)C#N)n[nH]1
Show InChI InChI=1S/C9H7N7O2/c10-2-5-3-12-7(4-11-5)14-9(18)13-6-1-8(17)16-15-6/h1,3-4H,(H4,12,13,14,15,16,17,18)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91894
PNG
(Chk1_29)
Show SMILES Clc1ccc(C#N)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C13H7ClN6O/c14-9-2-1-8(4-15)11(3-9)19-13(21)20-12-7-17-10(5-16)6-18-12/h1-3,6-7H,(H2,18,19,20,21)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91950
PNG
(Chk1_82)
Show SMILES COc1ccc(Nc2[nH]nc-3c2Cc2ccccc-32)cc1
Show InChI InChI=1S/C17H15N3O/c1-21-13-8-6-12(7-9-13)18-17-15-10-11-4-2-3-5-14(11)16(15)19-20-17/h2-9H,10H2,1H3,(H2,18,19,20)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225368
PNG
(Chk1_116)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)-c3cccc(N)c3)-c2cc1OC
Show InChI InChI=1S/C24H21N3O2/c1-28-21-12-17-11-20-23(26-27-24(20)19(17)13-22(21)29-2)15-8-6-14(7-9-15)16-4-3-5-18(25)10-16/h3-10,12-13H,11,25H2,1-2H3,(H,26,27)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91895
PNG
(Chk1_3)
Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(OCc4ccccc4)cc3)-c2cc1OC
Show InChI InChI=1S/C25H22N2O3/c1-28-22-13-18-12-21-24(26-27-25(21)20(18)14-23(22)29-2)17-8-10-19(11-9-17)30-15-16-6-4-3-5-7-16/h3-11,13-14H,12,15H2,1-2H3,(H,26,27)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91825
PNG
(Chk1_10)
Show SMILES COc1cc(ccc1O)-c1ccc2c(Nc3cccc(Cl)c3NC2=O)c1
Show InChI InChI=1S/C20H15ClN2O3/c1-26-18-10-12(6-8-17(18)24)11-5-7-13-16(9-11)22-15-4-2-3-14(21)19(15)23-20(13)25/h2-10,22,24H,1H3,(H,23,25)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91863
PNG
(Chk1_14)
Show SMILES Clc1ccc(Nc2ccc3c(Nc4ccccc4NC3=O)c2)cc1
Show InChI InChI=1S/C19H14ClN3O/c20-12-5-7-13(8-6-12)21-14-9-10-15-18(11-14)22-16-3-1-2-4-17(16)23-19(15)24/h1-11,21-22H,(H,23,24)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91940
PNG
(Chk1_71)
Show SMILES Brc1nc(NC(=O)Nc2cnc(cn2)C#N)cc2ccccc12
Show InChI InChI=1S/C15H9BrN6O/c16-14-11-4-2-1-3-9(11)5-12(20-14)21-15(23)22-13-8-18-10(6-17)7-19-13/h1-5,7-8H,(H2,19,20,21,22,23)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91944
PNG
(Chk1_75)
Show SMILES CC(C)(C)c1ccc(NC(=O)Nc2cnc(cn2)C#N)cc1
Show InChI InChI=1S/C16H17N5O/c1-16(2,3)11-4-6-12(7-5-11)20-15(22)21-14-10-18-13(8-17)9-19-14/h4-7,9-10H,1-3H3,(H2,19,20,21,22)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91882
PNG
(Chk1_18)
Show SMILES CC(C)(C)OC(=O)N1CCC(C1)Oc1ccc(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C21H23ClN6O4/c1-21(2,3)32-20(30)28-7-6-15(12-28)31-17-5-4-13(22)8-16(17)26-19(29)27-18-11-24-14(9-23)10-25-18/h4-5,8,10-11,15H,6-7,12H2,1-3H3,(H2,25,26,27,29)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91848
PNG
(Chk1_124)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cccc2ccccc12
Show InChI InChI=1S/C26H20N2O3/c1-31-25(29)14-16-9-12-22-24(13-16)28-26(30)21-11-10-18(15-23(21)27-22)20-8-4-6-17-5-2-3-7-19(17)20/h2-13,15,27H,14H2,1H3,(H,28,30)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91884
PNG
(Chk1_2)
Show SMILES COc1cc(OC)c(NC(=O)Nc2nccnn2)cc1Cl
Show InChI InChI=1S/C12H12ClN5O3/c1-20-9-6-10(21-2)8(5-7(9)13)16-12(19)17-11-14-3-4-15-18-11/h3-6H,1-2H3,(H2,14,16,17,18,19)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225349
PNG
(Chk1_56)
Show SMILES OC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2cccc(CC(O)=O)c2)c1
Show InChI InChI=1S/C25H27N3O3/c29-20-7-5-19(6-8-20)26-14-16-4-9-21-18(11-16)13-22-24(27-28-25(21)22)17-3-1-2-15(10-17)12-23(30)31/h1-4,9-11,19-20,26,29H,5-8,12-14H2,(H,27,28)(H,30,31)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91925
PNG
(Chk1_58)
Show SMILES Nc1cccc(c1)-c1ccc2c(Nc3ccc(CC(O)=O)cc3NC2=O)c1
Show InChI InChI=1S/C21H17N3O3/c22-15-3-1-2-13(10-15)14-5-6-16-18(11-14)23-17-7-4-12(9-20(25)26)8-19(17)24-21(16)27/h1-8,10-11,23H,9,22H2,(H,24,27)(H,25,26)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91937
PNG
(Chk1_69)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H20N2O4/c1-28-17-7-4-15(5-8-17)16-6-9-18-20(13-16)24-19-10-3-14(12-22(26)29-2)11-21(19)25-23(18)27/h3-11,13,24H,12H2,1-2H3,(H,25,27)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225358
PNG
(Chk1_94)
Show SMILES OCc1ccc(cc1)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(O)ccc-21
Show InChI InChI=1S/C23H18N2O2/c26-13-14-1-3-15(4-2-14)16-5-7-17(8-6-16)22-21-12-18-11-19(27)9-10-20(18)23(21)25-24-22/h1-11,26-27H,12-13H2,(H,24,25)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91927
PNG
(Chk1_6)
Show SMILES COc1cc(ccc1NC(=O)Nc1cnc(cn1)C#N)[N+]([O-])=O
Show InChI InChI=1S/C13H10N6O4/c1-23-11-4-9(19(21)22)2-3-10(11)17-13(20)18-12-7-15-8(5-14)6-16-12/h2-4,6-7H,1H3,(H2,16,17,18,20)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225347
PNG
(Chk1_54)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2cccc(CC(O)=O)c2)c1
Show InChI InChI=1S/C26H29N3O2/c1-16-5-8-21(9-6-16)27-15-18-7-10-22-20(12-18)14-23-25(28-29-26(22)23)19-4-2-3-17(11-19)13-24(30)31/h2-4,7,10-12,16,21,27H,5-6,8-9,13-15H2,1H3,(H,28,29)(H,30,31)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91853
PNG
(Chk1_129)
Show SMILES COC(=O)Cc1ccc2Nc3cc(c(C)cc3C(=O)Nc2c1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C25H23N3O4/c1-14-9-20-22(13-19(14)17-5-4-6-18(12-17)26-15(2)29)27-21-8-7-16(11-24(30)32-3)10-23(21)28-25(20)31/h4-10,12-13,27H,11H2,1-3H3,(H,26,29)(H,28,31)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91909
PNG
(Chk1_43)
Show SMILES OC(=O)c1ccccc1-c1ccc2c(Nc3ccccc3NC2=O)c1
Show InChI InChI=1S/C20H14N2O3/c23-19-15-10-9-12(13-5-1-2-6-14(13)20(24)25)11-18(15)21-16-7-3-4-8-17(16)22-19/h1-11,21H,(H,22,23)(H,24,25)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91954
PNG
(Chk1_86)
Show SMILES COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc2-c3ccccc3C(=O)c12
Show InChI InChI=1S/C23H16N2O3/c1-28-19-12-15(10-11-18(19)26)13-6-8-14(9-7-13)21-20-22(25-24-21)16-4-2-3-5-17(16)23(20)27/h2-12,26H,1H3,(H,24,25)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225371
PNG
(Chk1_126)
Show SMILES COc1ccc(COc2cc3Cc4c(n[nH]c4-c4ccc(Br)cc4)-c3cc2OC)cc1
Show InChI InChI=1S/C25H21BrN2O3/c1-29-19-9-3-15(4-10-19)14-31-23-12-17-11-21-24(16-5-7-18(26)8-6-16)27-28-25(21)20(17)13-22(23)30-2/h3-10,12-13H,11,14H2,1-2H3,(H,27,28)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91893
PNG
(Chk1_28)
Show SMILES CCCN(CC)c1ccc(Br)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C17H19BrN6O/c1-3-7-24(4-2)15-6-5-12(18)8-14(15)22-17(25)23-16-11-20-13(9-19)10-21-16/h5-6,8,10-11H,3-4,7H2,1-2H3,(H2,21,22,23,25)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91898
PNG
(Chk1_32)
Show SMILES Clc1ccc(OC2Cc3ccccc3C2)c(NC(=O)Nc2cnc(cn2)C#N)c1
Show InChI InChI=1S/C21H16ClN5O2/c22-15-5-6-19(29-17-7-13-3-1-2-4-14(13)8-17)18(9-15)26-21(28)27-20-12-24-16(10-23)11-25-20/h1-6,9,11-12,17H,7-8H2,(H2,25,26,27,28)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91952
PNG
(Chk1_84)
Show SMILES COc1cc(ccc1[N+]([O-])=O)-c1ccc2c(Nc3ncccc3NC2=O)c1
Show InChI InChI=1S/C19H14N4O4/c1-27-17-10-12(5-7-16(17)23(25)26)11-4-6-13-15(9-11)21-18-14(22-19(13)24)3-2-8-20-18/h2-10H,1H3,(H,20,21)(H,22,24)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91960
PNG
(Chk1_91)
Show SMILES O=C(Nc1cnc(cn1)C#N)Nc1cnc2ccccc2n1
Show InChI InChI=1S/C14H9N7O/c15-5-9-6-18-12(7-16-9)20-14(22)21-13-8-17-10-3-1-2-4-11(10)19-13/h1-4,6-8H,(H2,18,19,20,21,22)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225339
PNG
(Chk1_23)
Show SMILES CC1CCC(CC1)NCc1ccc-2c(Cc3c-2n[nH]c3-c2ccc3cc(ccc3c2)C(O)=O)c1
Show InChI InChI=1S/C29H29N3O2/c1-17-2-9-24(10-3-17)30-16-18-4-11-25-23(12-18)15-26-27(31-32-28(25)26)21-7-5-20-14-22(29(33)34)8-6-19(20)13-21/h4-8,11-14,17,24,30H,2-3,9-10,15-16H2,1H3,(H,31,32)(H,33,34)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM91836
PNG
(Chk1_11)
Show SMILES COc1ccc(cc1NC(=O)Nc1cnc(cn1)C#N)-c1ccccc1
Show InChI InChI=1S/C19H15N5O2/c1-26-17-8-7-14(13-5-3-2-4-6-13)9-16(17)23-19(25)24-18-12-21-15(10-20)11-22-18/h2-9,11-12H,1H3,(H2,22,23,24,25)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM225345
PNG
(Chk1_51)
Show SMILES ON1CC(Cl)=CC2=C1Nc1ccccc1C(=O)N2
Show InChI InChI=1S/C12H10ClN3O2/c13-7-5-10-11(16(18)6-7)14-9-4-2-1-3-8(9)12(17)15-10/h1-5,14,18H,6H2,(H,15,17)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
CHK1_Kinase


(Homo sapiens (Human))
BDBM50218734
PNG
(8-chloro-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11...)
Show SMILES Clc1ccc2Nc3ccccc3C(=O)Nc2c1
Show InChI InChI=1S/C13H9ClN2O/c14-8-5-6-11-12(7-8)16-13(17)9-3-1-2-4-10(9)15-11/h1-7,15H,(H,16,17)
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D3R



Assay Description
33P-Radiometric_Method1


D3R 221: (2015)


BindingDB Entry DOI: 10.7270/Q2WS8S4Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%