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15 molecules are shown

Wt: 297.3
BDBM91860
Wt: 335.7
BDBM91863
Wt: 409.4
BDBM91867
Wt: 318.7
BDBM91961
Wt: 302.7
BDBM91899
Wt: 379.7
BDBM91901
Wt: 359.3
BDBM91925
Wt: 383.3
BDBM91929
Wt: 389.3
BDBM91932
Wt: 388.4
BDBM91937
Wt: 408.4
BDBM91848
Wt: 374.3
BDBM91849
Wt: 375.3
BDBM91851
Wt: 429.4
BDBM91853
Wt: 244.6
BDBM50218734
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 34 hits for monomerid = 91860,91863,91867,91961,91899,91901,91925,91929,91932,91937,91848,91849,91851,91853,50218734   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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D3R
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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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10n/an/an/an/an/an/an/an/a



CSAR



Assay Description
ChemBL affinity - Published Abbott papers


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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D3R
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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM91867
PNG
(Chk1_147)
Show SMILES COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1cccc2cnccc12
Show InChI InChI=1S/C25H19N3O3/c1-31-24(29)12-15-5-8-21-23(11-15)28-25(30)20-7-6-16(13-22(20)27-21)18-4-2-3-17-14-26-10-9-19(17)18/h2-11,13-14,27H,12H2,1H3,(H,28,30)
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13n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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D3R
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))
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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D3R
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))
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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D3R
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))
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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D3R
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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D3R
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))
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
6.64E+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))
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
>1.00E+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))
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
>1.00E+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))
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
>1.00E+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))
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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>1.00E+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))
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
>1.00E+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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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1.58E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
1.72E+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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 192n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 1.70E+4n/an/an/an/an/an/a



CSAR



Assay Description
ChemBL affinity - Published Abbott papers


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 1.70E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk1


J Med Chem 50: 4162-76 (2007)


Article DOI: 10.1021/jm070105d
BindingDB Entry DOI: 10.7270/Q22J6BKS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 1.00E+4n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 2.19E+3n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 6.64E+3n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 1.00E+4n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 263n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 12n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 9n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 1.00E+4n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 106n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 2.44E+3n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 1.72E+4n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 1.00E+4n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 1.00E+4n/an/an/an/an/an/a



CSAR



Assay Description
Abbott Kinase Enzymatics_CHK1/289 CDC25c - IC50(uM) (IC50)


CSAR 1: (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)