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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'wohlhieter' and Initial = 'ge'   
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
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrs


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50025671
PNG
(CHEMBL583413)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C26H20Br2N4O/c1-15-3-12-21-20(13-15)24-22(25(33-21)17-6-10-19(28)11-7-17)23(16-4-8-18(27)9-5-16)32-26(31(24)2)29-14-30-32/h3-14,23,25H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53-Ser15 phosphorylation in human HCT116 cells after 24 hrs


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50025671
PNG
(CHEMBL583413)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C26H20Br2N4O/c1-15-3-12-21-20(13-15)24-22(25(33-21)17-6-10-19(28)11-7-17)23(16-4-8-18(27)9-5-16)32-26(31(24)2)29-14-30-32/h3-14,23,25H,1-2H3
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312752
PNG
((S)-N1-(5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-yl...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5S/c22-21(23,24)17-5-1-13(2-6-17)9-18(25)12-27-20-29-28-19(30-20)15-3-4-16-11-26-8-7-14(16)10-15/h1-8,10-11,18H,9,12,25H2,(H,27,29)/t18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312754
PNG
((S)-N1-(5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadia...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C20H19F3N6S/c1-11-16-9-13(4-7-17(16)27-26-11)18-28-29-19(30-18)25-10-15(24)8-12-2-5-14(6-3-12)20(21,22)23/h2-7,9,15H,8,10,24H2,1H3,(H,25,29)(H,26,27)/t15-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312750
PNG
((S)-N1-(5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6S/c20-19(21,22)14-4-1-11(2-5-14)7-15(23)10-24-18-28-27-17(29-18)12-3-6-16-13(8-12)9-25-26-16/h1-6,8-9,15H,7,10,23H2,(H,24,28)(H,25,26)/t15-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312744
PNG
((S)-N1-(5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadia...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C20H19F3N6S/c1-11-16-9-13(5-6-17(16)27-26-11)18-28-29-19(30-18)25-10-15(24)8-12-3-2-4-14(7-12)20(21,22)23/h2-7,9,15H,8,10,24H2,1H3,(H,25,29)(H,26,27)/t15-/m0/s1
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n/an/a 6.10n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50299820
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-1-ethoxy-12-methy...)
Show SMILES CCOc1cccc2OC(C3=C(N(C)c4ncnn4C3c3ccc(Br)cc3)c12)c1ccc(Br)cc1
Show InChI InChI=1S/C27H22Br2N4O2/c1-3-34-20-5-4-6-21-22(20)25-23(26(35-21)17-9-13-19(29)14-10-17)24(16-7-11-18(28)12-8-16)33-27(32(25)2)30-15-31-33/h4-15,24,26H,3H2,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312755
PNG
((S)-3-(4-chlorophenyl)-N1-(5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C19H19ClN6S/c1-11-16-9-13(4-7-17(16)24-23-11)18-25-26-19(27-18)22-10-15(21)8-12-2-5-14(20)6-3-12/h2-7,9,15H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t15-/m0/s1
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n/an/a 8.90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50299822
PNG
((+/-)-syn-6,7-Bis(4-chlorophenyl)-12-methyl-7,12-d...)
Show SMILES CN1c2ncnn2C(C2=C1c1ccccc1OC2c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H18Cl2N4O/c1-30-23-19-4-2-3-5-20(19)32-24(16-8-12-18(27)13-9-16)21(23)22(31-25(30)28-14-29-31)15-6-10-17(26)11-7-15/h2-14,22,24H,1H3
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n/an/a 9.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50299818
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-3-fluoro-2,12-dim...)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(C)c(F)cc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C26H19Br2FN4O/c1-14-11-19-21(12-20(14)29)34-25(16-5-9-18(28)10-6-16)22-23(15-3-7-17(27)8-4-15)33-26(30-13-31-33)32(2)24(19)22/h3-13,23,25H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312757
PNG
((S)-3-(3,4-difluorophenyl)-N1-(5-(3-methyl-1H-inda...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(F)c(F)c2)s1
Show InChI InChI=1S/C19H18F2N6S/c1-10-14-8-12(3-5-17(14)25-24-10)18-26-27-19(28-18)23-9-13(22)6-11-2-4-15(20)16(21)7-11/h2-5,7-8,13H,6,9,22H2,1H3,(H,23,27)(H,24,25)/t13-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50299821
PNG
((+/-)-syn-7-(4-Bromophenyl)-6-(4-chlorophenyl)-12-...)
Show SMILES CN1c2ncnn2C(C2=C1c1ccccc1OC2c1ccc(Cl)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H18BrClN4O/c1-30-23-19-4-2-3-5-20(19)32-24(16-8-12-18(27)13-9-16)21(23)22(31-25(30)28-14-29-31)15-6-10-17(26)11-7-15/h2-14,22,24H,1H3
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n/an/a 15n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312765
PNG
((S)-3-(3-chlorophenyl)-N1-(5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2cccc(Cl)c2)s1
Show InChI InChI=1S/C19H19ClN6S/c1-11-16-9-13(5-6-17(16)24-23-11)18-25-26-19(27-18)22-10-15(21)8-12-3-2-4-14(20)7-12/h2-7,9,15H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t15-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312754
PNG
((S)-N1-(5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadia...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C20H19F3N6S/c1-11-16-9-13(4-7-17(16)27-26-11)18-28-29-19(30-18)25-10-15(24)8-12-2-5-14(6-3-12)20(21,22)23/h2-7,9,15H,8,10,24H2,1H3,(H,25,29)(H,26,27)/t15-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312756
PNG
((S)-3-(2,4-dichlorophenyl)-N1-(5-(3-methyl-1H-inda...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(Cl)cc2Cl)s1
Show InChI InChI=1S/C19H18Cl2N6S/c1-10-15-7-12(3-5-17(15)25-24-10)18-26-27-19(28-18)23-9-14(22)6-11-2-4-13(20)8-16(11)21/h2-5,7-8,14H,6,9,22H2,1H3,(H,23,27)(H,24,25)/t14-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312765
PNG
((S)-3-(3-chlorophenyl)-N1-(5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2cccc(Cl)c2)s1
Show InChI InChI=1S/C19H19ClN6S/c1-11-16-9-13(5-6-17(16)24-23-11)18-25-26-19(27-18)22-10-15(21)8-12-3-2-4-14(20)7-12/h2-7,9,15H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t15-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312757
PNG
((S)-3-(3,4-difluorophenyl)-N1-(5-(3-methyl-1H-inda...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(F)c(F)c2)s1
Show InChI InChI=1S/C19H18F2N6S/c1-10-14-8-12(3-5-17(14)25-24-10)18-26-27-19(28-18)23-9-13(22)6-11-2-4-15(20)16(21)7-11/h2-5,7-8,13H,6,9,22H2,1H3,(H,23,27)(H,24,25)/t13-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312749
PNG
((S)-N1-(5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN6S/c19-14-4-1-11(2-5-14)7-15(20)10-21-18-25-24-17(26-18)12-3-6-16-13(8-12)9-22-23-16/h1-6,8-9,15H,7,10,20H2,(H,21,25)(H,22,23)/t15-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312750
PNG
((S)-N1-(5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6S/c20-19(21,22)14-4-1-11(2-5-14)7-15(23)10-24-18-28-27-17(29-18)12-3-6-16-13(8-12)9-25-26-16/h1-6,8-9,15H,7,10,23H2,(H,24,28)(H,25,26)/t15-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312747
PNG
((S)-N1-(5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6S/c20-19(21,22)14-3-1-2-11(6-14)7-15(23)10-24-18-28-27-17(29-18)12-4-5-16-13(8-12)9-25-26-16/h1-6,8-9,15H,7,10,23H2,(H,24,28)(H,25,26)/t15-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312744
PNG
((S)-N1-(5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadia...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C20H19F3N6S/c1-11-16-9-13(5-6-17(16)27-26-11)18-28-29-19(30-18)25-10-15(24)8-12-3-2-4-14(7-12)20(21,22)23/h2-7,9,15H,8,10,24H2,1H3,(H,25,29)(H,26,27)/t15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312764
PNG
((S)-3-(3-fluorophenyl)-N1-(5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2cccc(F)c2)s1
Show InChI InChI=1S/C19H19FN6S/c1-11-16-9-13(5-6-17(16)24-23-11)18-25-26-19(27-18)22-10-15(21)8-12-3-2-4-14(20)7-12/h2-7,9,15H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t15-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312751
PNG
((S)-N1-(5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H16Cl2N6S/c19-13-3-1-10(15(20)7-13)6-14(21)9-22-18-26-25-17(27-18)11-2-4-16-12(5-11)8-23-24-16/h1-5,7-8,14H,6,9,21H2,(H,22,26)(H,23,24)/t14-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312749
PNG
((S)-N1-(5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C18H17ClN6S/c19-14-4-1-11(2-5-14)7-15(20)10-21-18-25-24-17(26-18)12-3-6-16-13(8-12)9-22-23-16/h1-6,8-9,15H,7,10,20H2,(H,21,25)(H,22,23)/t15-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
CREB-binding protein/p53


(Homo sapiens (Human))
BDBM50299819
PNG
((+/-)-syn-6,7-Bis(4-bromophenyl)-2-fluoro-12-methy...)
Show SMILES CN1c2ncnn2C(C2=C1c1cc(F)ccc1OC2c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H17Br2FN4O/c1-31-23-19-12-18(28)10-11-20(19)33-24(15-4-8-17(27)9-5-15)21(23)22(32-25(31)29-13-30-32)14-2-6-16(26)7-3-14/h2-13,22,24H,1H3
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n/an/a 44n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Induction of p53 in human HCT116 cells coexpressing pp53TA-luc assessed as inhibition of cell proliferation after 8 hrs by firefly/renilla luciferase...


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312762
PNG
((S)-3-(2-chlorophenyl)-N1-(5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2Cl)s1
Show InChI InChI=1S/C19H19ClN6S/c1-11-15-9-13(6-7-17(15)24-23-11)18-25-26-19(27-18)22-10-14(21)8-12-4-2-3-5-16(12)20/h2-7,9,14H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t14-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50299823
PNG
((6R,7S)-6,7-bis(4-bromophenyl)-7,11-dihydro-6H-chr...)
Show SMILES Brc1ccc(cc1)[C@H]1Oc2ccccc2C2=Nc3ncnn3[C@H](C12)c1ccc(Br)cc1
Show InChI InChI=1S/C24H16Br2N4O/c25-16-9-5-14(6-10-16)22-20-21(29-24-27-13-28-30(22)24)18-3-1-2-4-19(18)31-23(20)15-7-11-17(26)12-8-15/h1-13,20,22-23H/t20?,22-,23+/m0/s1
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n/an/a>50n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of ligase activity of human MDM2


J Med Chem 52: 7044-53 (2009)


Article DOI: 10.1021/jm900681h
BindingDB Entry DOI: 10.7270/Q2ZK5GRQ
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312752
PNG
((S)-N1-(5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-yl...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5S/c22-21(23,24)17-5-1-13(2-6-17)9-18(25)12-27-20-29-28-19(30-20)15-3-4-16-11-26-8-7-14(16)10-15/h1-8,10-11,18H,9,12,25H2,(H,27,29)/t18-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312762
PNG
((S)-3-(2-chlorophenyl)-N1-(5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2Cl)s1
Show InChI InChI=1S/C19H19ClN6S/c1-11-15-9-13(6-7-17(15)24-23-11)18-25-26-19(27-18)22-10-14(21)8-12-4-2-3-5-16(12)20/h2-7,9,14H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t14-/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312756
PNG
((S)-3-(2,4-dichlorophenyl)-N1-(5-(3-methyl-1H-inda...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(Cl)cc2Cl)s1
Show InChI InChI=1S/C19H18Cl2N6S/c1-10-15-7-12(3-5-17(15)25-24-10)18-26-27-19(28-18)23-9-14(22)6-11-2-4-13(20)8-16(11)21/h2-5,7-8,14H,6,9,22H2,1H3,(H,23,27)(H,24,25)/t14-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312755
PNG
((S)-3-(4-chlorophenyl)-N1-(5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C19H19ClN6S/c1-11-16-9-13(4-7-17(16)24-23-11)18-25-26-19(27-18)22-10-15(21)8-12-2-5-14(20)6-3-12/h2-7,9,15H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t15-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312759
PNG
((S)-N1-(5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadia...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2)s1
Show InChI InChI=1S/C19H20N6S/c1-12-16-10-14(7-8-17(16)23-22-12)18-24-25-19(26-18)21-11-15(20)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11,20H2,1H3,(H,21,25)(H,22,23)/t15-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312748
PNG
((S)-N1-(5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(F)cc1
Show InChI InChI=1S/C18H17FN6S/c19-14-4-1-11(2-5-14)7-15(20)10-21-18-25-24-17(26-18)12-3-6-16-13(8-12)9-22-23-16/h1-6,8-9,15H,7,10,20H2,(H,21,25)(H,22,23)/t15-/m0/s1
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n/an/a 74n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312759
PNG
((S)-N1-(5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadia...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2)s1
Show InChI InChI=1S/C19H20N6S/c1-12-16-10-14(7-8-17(16)23-22-12)18-24-25-19(26-18)21-11-15(20)9-13-5-3-2-4-6-13/h2-8,10,15H,9,11,20H2,1H3,(H,21,25)(H,22,23)/t15-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312746
PNG
((S)-N1-(5-(3-phenyl-1H-indazol-5-yl)-1,3,4-thiadia...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]nc(-c3ccccc3)c2c1)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H21F3N6S/c26-25(27,28)18-8-4-5-15(11-18)12-19(29)14-30-24-34-33-23(35-24)17-9-10-21-20(13-17)22(32-31-21)16-6-2-1-3-7-16/h1-11,13,19H,12,14,29H2,(H,30,34)(H,31,32)/t19-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312761
PNG
((S)-3-(2-fluorophenyl)-N1-(5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2F)s1
Show InChI InChI=1S/C19H19FN6S/c1-11-15-9-13(6-7-17(15)24-23-11)18-25-26-19(27-18)22-10-14(21)8-12-4-2-3-5-16(12)20/h2-7,9,14H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t14-/m0/s1
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n/an/a 104n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312745
PNG
((S)-N1-(5-(3-cyclopropyl-1H-indazol-5-yl)-1,3,4-th...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]nc(C3CC3)c2c1)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6S/c23-22(24,25)15-6-1-12(2-7-15)9-16(26)11-27-21-31-30-20(32-21)14-5-8-18-17(10-14)19(29-28-18)13-3-4-13/h1-2,5-8,10,13,16H,3-4,9,11,26H2,(H,27,31)(H,28,29)/t16-/m0/s1
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n/an/a 135n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312750
PNG
((S)-N1-(5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6S/c20-19(21,22)14-4-1-11(2-5-14)7-15(23)10-24-18-28-27-17(29-18)12-3-6-16-13(8-12)9-25-26-16/h1-6,8-9,15H,7,10,23H2,(H,24,28)(H,25,26)/t15-/m0/s1
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n/an/a 154n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human MDA-MB-468 cells assessed as phosphorylation-mediated nuclear translocation of GFP-tagged FKHRL1 by fluorescence mi...


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312745
PNG
((S)-N1-(5-(3-cyclopropyl-1H-indazol-5-yl)-1,3,4-th...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]nc(C3CC3)c2c1)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6S/c23-22(24,25)15-6-1-12(2-7-15)9-16(26)11-27-21-31-30-20(32-21)14-5-8-18-17(10-14)19(29-28-18)13-3-4-13/h1-2,5-8,10,13,16H,3-4,9,11,26H2,(H,27,31)(H,28,29)/t16-/m0/s1
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n/an/a 181n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312761
PNG
((S)-3-(2-fluorophenyl)-N1-(5-(3-methyl-1H-indazol-...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2F)s1
Show InChI InChI=1S/C19H19FN6S/c1-11-15-9-13(6-7-17(15)24-23-11)18-25-26-19(27-18)22-10-14(21)8-12-4-2-3-5-16(12)20/h2-7,9,14H,8,10,21H2,1H3,(H,22,26)(H,23,24)/t14-/m0/s1
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n/an/a 198n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312763
PNG
((S)-N1-(5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadia...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2C(F)(F)F)s1
Show InChI InChI=1S/C20H19F3N6S/c1-11-15-9-13(6-7-17(15)27-26-11)18-28-29-19(30-18)25-10-14(24)8-12-4-2-3-5-16(12)20(21,22)23/h2-7,9,14H,8,10,24H2,1H3,(H,25,29)(H,26,27)/t14-/m0/s1
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n/an/a 198n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312752
PNG
((S)-N1-(5-(isoquinolin-6-yl)-1,3,4-thiadiazol-2-yl...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2cnccc2c1)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3N5S/c22-21(23,24)17-5-1-13(2-6-17)9-18(25)12-27-20-29-28-19(30-20)15-3-4-16-11-26-8-7-14(16)10-15/h1-8,10-11,18H,9,12,25H2,(H,27,29)/t18-/m0/s1
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n/an/a 247n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312753
PNG
((S)-N1-(5-(3-methylisoquinolin-6-yl)-1,3,4-thiadia...)
Show SMILES Cc1cc2cc(ccc2cn1)-c1nnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C22H20F3N5S/c1-13-8-17-10-15(4-5-16(17)11-27-13)20-29-30-21(31-20)28-12-19(26)9-14-2-6-18(7-3-14)22(23,24)25/h2-8,10-11,19H,9,12,26H2,1H3,(H,28,30)/t19-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50312751
PNG
((S)-N1-(5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H16Cl2N6S/c19-13-3-1-10(15(20)7-13)6-14(21)9-22-18-26-25-17(27-18)11-2-4-16-12(5-11)8-23-24-16/h1-5,7-8,14H,6,9,21H2,(H,22,26)(H,23,24)/t14-/m0/s1
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n/an/a 323n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312754
PNG
((S)-N1-(5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadia...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C20H19F3N6S/c1-11-16-9-13(4-7-17(16)27-26-11)18-28-29-19(30-18)25-10-15(24)8-12-2-5-14(6-3-12)20(21,22)23/h2-7,9,15H,8,10,24H2,1H3,(H,25,29)(H,26,27)/t15-/m0/s1
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n/an/a 333n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human MDA-MB-468 cells assessed as phosphorylation-mediated nuclear translocation of GFP-tagged FKHRL1 by fluorescence mi...


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312754
PNG
((S)-N1-(5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadia...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1
Show InChI InChI=1S/C20H19F3N6S/c1-11-16-9-13(4-7-17(16)27-26-11)18-28-29-19(30-18)25-10-15(24)8-12-2-5-14(6-3-12)20(21,22)23/h2-7,9,15H,8,10,24H2,1H3,(H,25,29)(H,26,27)/t15-/m0/s1
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n/an/a 357n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human AKT1 in human U87MG cells assessed as PRAS40 phosphorylation after 1 hr by ELISA


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312748
PNG
((S)-N1-(5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)...)
Show SMILES N[C@H](CNc1nnc(s1)-c1ccc2[nH]ncc2c1)Cc1ccc(F)cc1
Show InChI InChI=1S/C18H17FN6S/c19-14-4-1-11(2-5-14)7-15(20)10-21-18-25-24-17(26-18)12-3-6-16-13(8-12)9-22-23-16/h1-6,8-9,15H,7,10,20H2,(H,21,25)(H,22,23)/t15-/m0/s1
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n/an/a 368n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50312758
PNG
((S)-N1-(5-(3-ethyl-1H-indazol-5-yl)-1,3,4-thiadiaz...)
Show SMILES CCc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccccc2)s1
Show InChI InChI=1S/C20H22N6S/c1-2-17-16-11-14(8-9-18(16)24-23-17)19-25-26-20(27-19)22-12-15(21)10-13-6-4-3-5-7-13/h3-9,11,15H,2,10,12,21H2,1H3,(H,22,26)(H,23,24)/t15-/m0/s1
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n/an/a 370n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of AKT1 after 10 mins by [gamma33]ATP assay


Bioorg Med Chem Lett 20: 1652-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.046
BindingDB Entry DOI: 10.7270/Q21836MC
More data for this
Ligand-Target Pair
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