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15 molecules are shown

Wt: 453.5
BDBM50243472
Wt: 445.5
BDBM50243473
Wt: 482.5
BDBM50243332
Wt: 348.4
BDBM50243333
Wt: 334.3
BDBM50243334
Wt: 362.4
BDBM50243368
Wt: 388.4
BDBM50243369
Wt: 375.4
BDBM50243370
Wt: 379.4
BDBM50243371
Wt: 335.3
BDBM50243372
Wt: 459.6
BDBM50243530
Wt: 459.6
BDBM50243531
Wt: 345.2
BDBM50243420
Wt: 410.4
BDBM50243424
Wt: 291.3
BDBM50243419

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50243472,50243473,50243332,50243333,50243334,50243368,50243369,50243370,50243371,50243372,50243530,50243531,50243420,50243424,50243419   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243530
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(piperid...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCNCC2)c(NC(N)=O)s1
Show InChI InChI=1S/C23H33N5O3S/c1-3-28(4-2)13-14-31-18-7-5-16(6-8-18)20-15-19(22(32-20)27-23(24)30)21(29)26-17-9-11-25-12-10-17/h5-8,15,17,25H,3-4,9-14H2,1-2H3,(H,26,29)(H3,24,27,30)
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243472
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(pyridin...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)Nc2cccnc2)c(NC(N)=O)s1
Show InChI InChI=1S/C23H27N5O3S/c1-3-28(4-2)12-13-31-18-9-7-16(8-10-18)20-14-19(22(32-20)27-23(24)30)21(29)26-17-6-5-11-25-15-17/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,26,29)(H3,24,27,30)
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n/an/a 4.40E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243332
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-((3-(hyd...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)Nc2cccc(CO)c2)c(NC(N)=O)s1
Show InChI InChI=1S/C25H30N4O4S/c1-3-29(4-2)12-13-33-20-10-8-18(9-11-20)22-15-21(24(34-22)28-25(26)32)23(31)27-19-7-5-6-17(14-19)16-30/h5-11,14-15,30H,3-4,12-13,16H2,1-2H3,(H,27,31)(H3,26,28,32)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243333
PNG
(1-(3-carbamoyl-5-(4-(2-(dimethylamino)ethoxy)pheny...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C16H20N4O3S/c1-20(2)7-8-23-11-5-3-10(4-6-11)13-9-12(14(17)21)15(24-13)19-16(18)22/h3-6,9H,7-8H2,1-2H3,(H2,17,21)(H3,18,19,22)
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n/an/a 150n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243424
PNG
(1-(5-(4-((4-methoxybenzylamino)methyl)phenyl)-3-ca...)
Show SMILES COc1ccc(CNCc2ccc(cc2)-c2cc(C(N)=O)c(NC(N)=O)s2)cc1
Show InChI InChI=1S/C21H22N4O3S/c1-28-16-8-4-14(5-9-16)12-24-11-13-2-6-15(7-3-13)18-10-17(19(22)26)20(29-18)25-21(23)27/h2-10,24H,11-12H2,1H3,(H2,22,26)(H3,23,25,27)
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n/an/a 29n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243531
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(piperid...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C23H33N5O3S/c1-3-28(4-2)12-13-31-18-9-7-16(8-10-18)20-14-19(22(32-20)27-23(24)30)21(29)26-17-6-5-11-25-15-17/h7-10,14,17,25H,3-6,11-13,15H2,1-2H3,(H,26,29)(H3,24,27,30)
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n/an/a 10n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243473
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(pyrroli...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C22H31N5O3S/c1-3-27(4-2)11-12-30-17-7-5-15(6-8-17)19-13-18(21(31-19)26-22(23)29)20(28)25-16-9-10-24-14-16/h5-8,13,16,24H,3-4,9-12,14H2,1-2H3,(H,25,28)(H3,23,26,29)
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243472
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(pyridin...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)Nc2cccnc2)c(NC(N)=O)s1
Show InChI InChI=1S/C23H27N5O3S/c1-3-28(4-2)12-13-31-18-9-7-16(8-10-18)20-14-19(22(32-20)27-23(24)30)21(29)26-17-6-5-11-25-15-17/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,26,29)(H3,24,27,30)
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n/an/a 100n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243368
PNG
(1-(3-carbamoyl-5-(4-(3-(dimethylamino)propoxy)phen...)
Show SMILES CN(C)CCCOc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C17H22N4O3S/c1-21(2)8-3-9-24-12-6-4-11(5-7-12)14-10-13(15(18)22)16(25-14)20-17(19)23/h4-7,10H,3,8-9H2,1-2H3,(H2,18,22)(H3,19,20,23)
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n/an/a 230n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243369
PNG
(1-(3-carbamoyl-5-(4-(2-(piperidin-1-yl)ethoxy)phen...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C19H24N4O3S/c20-17(24)15-12-16(27-18(15)22-19(21)25)13-4-6-14(7-5-13)26-11-10-23-8-2-1-3-9-23/h4-7,12H,1-3,8-11H2,(H2,20,24)(H3,21,22,25)
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n/an/a 230n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243372
PNG
(1-(3-carbamoyl-5-(4-(2-methoxyethoxy)phenyl)thioph...)
Show SMILES COCCOc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C15H17N3O4S/c1-21-6-7-22-10-4-2-9(3-5-10)12-8-11(13(16)19)14(23-12)18-15(17)20/h2-5,8H,6-7H2,1H3,(H2,16,19)(H3,17,18,20)
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n/an/a 6.70E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243370
PNG
(1-(3-carbamoyl-5-(4-(2-(cyclopropylmethoxy)ethoxy)...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(OCCOCC2CC2)cc1
Show InChI InChI=1S/C18H21N3O4S/c19-16(22)14-9-15(26-17(14)21-18(20)23)12-3-5-13(6-4-12)25-8-7-24-10-11-1-2-11/h3-6,9,11H,1-2,7-8,10H2,(H2,19,22)(H3,20,21,23)
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n/an/a 2.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243371
PNG
(1-(3-carbamoyl-5-(4-(2-(2-methoxyethoxy)ethoxy)phe...)
Show SMILES COCCOCCOc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C17H21N3O5S/c1-23-6-7-24-8-9-25-12-4-2-11(3-5-12)14-10-13(15(18)21)16(26-14)20-17(19)22/h2-5,10H,6-9H2,1H3,(H2,18,21)(H3,19,20,22)
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n/an/a 4.10E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243419
PNG
(1-(3-carbamoyl-5-(4-methoxyphenyl)thiophen-2-yl)ur...)
Show SMILES COc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C13H13N3O3S/c1-19-8-4-2-7(3-5-8)10-6-9(11(14)17)12(20-10)16-13(15)18/h2-6H,1H3,(H2,14,17)(H3,15,16,18)
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n/an/a 5.00E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243420
PNG
(1-(3-carbamoyl-5-(4-(trifluoromethoxy)phenyl)thiop...)
Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C13H10F3N3O3S/c14-13(15,16)22-7-3-1-6(2-4-7)9-5-8(10(17)20)11(23-9)19-12(18)21/h1-5H,(H2,17,20)(H3,18,19,21)
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n/an/a 2.60E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243333
PNG
(1-(3-carbamoyl-5-(4-(2-(dimethylamino)ethoxy)pheny...)
Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C16H20N4O3S/c1-20(2)7-8-23-11-5-3-10(4-6-11)13-9-12(14(17)21)15(24-13)19-16(18)22/h3-6,9H,7-8H2,1-2H3,(H2,17,21)(H3,18,19,22)
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n/an/a 150n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


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


Article DOI: 10.1016/j.bmcl.2012.01.043
BindingDB Entry DOI: 10.7270/Q2GM88B0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243332
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-((3-(hyd...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)Nc2cccc(CO)c2)c(NC(N)=O)s1
Show InChI InChI=1S/C25H30N4O4S/c1-3-29(4-2)12-13-33-20-10-8-18(9-11-20)22-15-21(24(34-22)28-25(26)32)23(31)27-19-7-5-6-17(14-19)16-30/h5-11,14-15,30H,3-4,12-13,16H2,1-2H3,(H,27,31)(H3,26,28,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243531
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(piperid...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C23H33N5O3S/c1-3-28(4-2)12-13-31-18-9-7-16(8-10-18)20-14-19(22(32-20)27-23(24)30)21(29)26-17-6-5-11-25-15-17/h7-10,14,17,25H,3-6,11-13,15H2,1-2H3,(H,26,29)(H3,24,27,30)
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n/an/a 4.80E+3n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243530
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(piperid...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCNCC2)c(NC(N)=O)s1
Show InChI InChI=1S/C23H33N5O3S/c1-3-28(4-2)13-14-31-18-7-5-16(6-8-18)20-15-19(22(32-20)27-23(24)30)21(29)26-17-9-11-25-12-10-17/h5-8,15,17,25H,3-4,9-14H2,1-2H3,(H,26,29)(H3,24,27,30)
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n/an/a>6.90E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2-associated protein 1


(Homo sapiens)
BDBM50243473
PNG
(1-(5-(4-(2-(diethylamino)ethoxy)phenyl)-3-(pyrroli...)
Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc(C(=O)NC2CCNC2)c(NC(N)=O)s1
Show InChI InChI=1S/C22H31N5O3S/c1-3-27(4-2)11-12-30-17-7-5-15(6-8-17)19-13-18(21(31-19)26-22(23)29)20(28)25-16-9-10-24-14-16/h5-8,13,16,24H,3-4,9-12,14H2,1-2H3,(H,25,28)(H3,23,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Cdk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50243334
PNG
(1-(3-carbamoyl-5-(4-(2-(methylamino)ethoxy)phenyl)...)
Show SMILES CNCCOc1ccc(cc1)-c1cc(C(N)=O)c(NC(N)=O)s1
Show InChI InChI=1S/C15H18N4O3S/c1-18-6-7-22-10-4-2-9(3-5-10)12-8-11(13(16)20)14(23-12)19-15(17)21/h2-5,8,18H,6-7H2,1H3,(H2,16,20)(H3,17,19,21)
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n/an/a 360n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 4242-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.016
BindingDB Entry DOI: 10.7270/Q2J102Z9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)