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Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'ahlijanian' and Initial = 'mk'   
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
Beta-secretase 1


(Homo sapiens (Human))
BDBM50169366
PNG
(CHEMBL3806322)
Show SMILES Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F
Show InChI InChI=1S/C22H20ClF2N5O2S/c1-10-18(11(2)32-30-10)17-8-22(3,29-21(26)33-17)14-6-13(7-15(24)19(14)25)28-20(31)16-5-4-12(23)9-27-16/h4-7,9,17H,8H2,1-3H3,(H2,26,29)(H,28,31)/t17-,22-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta 40 or amyloid beta 42 production incuba...


ACS Med Chem Lett 7: 271-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00432
BindingDB Entry DOI: 10.7270/Q2NS0WTZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50169351
PNG
(CHEMBL3805852)
Show SMILES COc1cnc(cn1)C(=O)Nc1cc(F)c(F)c(c1)[C@]1(C)C[C@H](SC(N)=N1)c1c(C)noc1C
Show InChI InChI=1S/C22H22F2N6O3S/c1-10-18(11(2)33-30-10)16-7-22(3,29-21(25)34-16)13-5-12(6-14(23)19(13)24)28-20(31)15-8-27-17(32-4)9-26-15/h5-6,8-9,16H,7H2,1-4H3,(H2,25,29)(H,28,31)/t16-,22-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta 40 or amyloid beta 42 production incuba...


ACS Med Chem Lett 7: 271-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00432
BindingDB Entry DOI: 10.7270/Q2NS0WTZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50169365
PNG
(CHEMBL3806215)
Show SMILES Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(F)cc(NC(=O)c2ccc(Cl)cn2)c1
Show InChI InChI=1S/C22H21ClFN5O2S/c1-11-19(12(2)31-29-11)18-9-22(3,28-21(25)32-18)13-6-15(24)8-16(7-13)27-20(30)17-5-4-14(23)10-26-17/h4-8,10,18H,9H2,1-3H3,(H2,25,28)(H,27,30)/t18-,22-/m0/s1
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n/an/a 2.30n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta 40 or amyloid beta 42 production incuba...


ACS Med Chem Lett 7: 271-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00432
BindingDB Entry DOI: 10.7270/Q2NS0WTZ
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50169368
PNG
(CHEMBL3806050)
Show SMILES Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C21H19ClFN5O2S/c1-10-19(11(2)30-28-10)18-8-17(27-21(24)31-18)14-7-13(4-5-15(14)23)26-20(29)16-6-3-12(22)9-25-16/h3-7,9,17-18H,8H2,1-2H3,(H2,24,27)(H,26,29)/t17-,18-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta 40 or amyloid beta 42 production incuba...


ACS Med Chem Lett 7: 271-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00432
BindingDB Entry DOI: 10.7270/Q2NS0WTZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155213
PNG
(1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-8-yl-u...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2ccncc12
Show InChI InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)12-4-1-5-12)20-14-6-2-3-11-7-8-18-9-13(11)14/h2-3,6-10,12H,1,4-5H2,(H2,19,20,21,22)
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n/an/a 5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50415045
PNG
(CHEMBL571782)
Show SMILES Clc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1
Show InChI InChI=1S/C25H22ClN5O2/c26-22-10-4-9-21(29-22)25(33)28-18-12-19(13-18)31-14-23(27-15-31)30-24(32)11-17-7-3-6-16-5-1-2-8-20(16)17/h1-10,14-15,18-19H,11-13H2,(H,28,33)(H,30,32)/t18-,19+
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50415046
PNG
(CHEMBL583658)
Show SMILES Cc1cccc(n1)C(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1
Show InChI InChI=1S/C26H25N5O2/c1-17-6-4-11-23(28-17)26(33)29-20-13-21(14-20)31-15-24(27-16-31)30-25(32)12-19-9-5-8-18-7-2-3-10-22(18)19/h2-11,15-16,20-21H,12-14H2,1H3,(H,29,33)(H,30,32)/t20-,21+
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155231
PNG
(2-(1H-Benzoimidazol-5-yl)-N-(5-cyclobutyl-thiazol-...)
Show SMILES O=C(Cc1ccc2nc[nH]c2c1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C16H16N4OS/c21-15(7-10-4-5-12-13(6-10)19-9-18-12)20-16-17-8-14(22-16)11-2-1-3-11/h4-6,8-9,11H,1-3,7H2,(H,18,19)(H,17,20,21)
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n/an/a 7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50088174
PNG
(CHEMBL3427251)
Show SMILES Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1
Show InChI InChI=1S/C20H19F2N5OS/c1-10-18(11(2)28-27-10)17-6-20(3,26-19(23)29-17)14-4-13(15(21)5-16(14)22)12-7-24-9-25-8-12/h4-5,7-9,17H,6H2,1-3H3,(H2,23,26)/t17-,20-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta 40 or amyloid beta 42 production incuba...


ACS Med Chem Lett 7: 271-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00432
BindingDB Entry DOI: 10.7270/Q2NS0WTZ
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155209
PNG
(1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-5-yl-u...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)11-3-1-4-11)20-14-6-2-5-12-9-18-8-7-13(12)14/h2,5-11H,1,3-4H2,(H2,19,20,21,22)
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n/an/a 8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50415039
PNG
(CHEMBL571780)
Show SMILES CC(=O)N[C@H]1C[C@H](C1)n1cnc(NC(=O)Cc2cccc3ccccc23)c1
Show InChI InChI=1S/C21H22N4O2/c1-14(26)23-17-10-18(11-17)25-12-20(22-13-25)24-21(27)9-16-7-4-6-15-5-2-3-8-19(15)16/h2-8,12-13,17-18H,9-11H2,1H3,(H,23,26)(H,24,27)/t17-,18+
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50415037
PNG
(CHEMBL576502)
Show SMILES COc1ccc(CC(=O)Nc2cn(cn2)[C@@H]2C[C@@H](C2)NC(C)=O)cc1
Show InChI InChI=1S/C18H22N4O3/c1-12(23)20-14-8-15(9-14)22-10-17(19-11-22)21-18(24)7-13-3-5-16(25-2)6-4-13/h3-6,10-11,14-15H,7-9H2,1-2H3,(H,20,23)(H,21,24)/t14-,15+
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n/an/a 9n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155236
PNG
(CHEMBL363954 | N-(5-Cyclobutyl-thiazol-2-yl)-2-qui...)
Show SMILES O=C(Cc1ccc2ncccc2c1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)13-3-1-4-13)10-12-6-7-15-14(9-12)5-2-8-19-15/h2,5-9,11,13H,1,3-4,10H2,(H,20,21,22)
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n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155235
PNG
(CHEMBL186470 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(2-...)
Show SMILES Cc1nc2ccc(CC(=O)Nc3ncc(s3)C3CCC3)cc2s1
Show InChI InChI=1S/C17H17N3OS2/c1-10-19-13-6-5-11(7-14(13)22-10)8-16(21)20-17-18-9-15(23-17)12-3-2-4-12/h5-7,9,12H,2-4,8H2,1H3,(H,18,20,21)
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens)
BDBM50012647
PNG
(CHEMBL2396989)
Show SMILES NC1=N[C@]2(COC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin)


Bioorg Med Chem Lett 26: 5729-5731 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.055
BindingDB Entry DOI: 10.7270/Q2W66NRR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155237
PNG
(CHEMBL184404 | N-(5-Cyclobutyl-thiazol-2-yl)-2-iso...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)12-3-1-4-12)9-13-5-2-6-14-10-19-8-7-15(13)14/h2,5-8,10-12H,1,3-4,9H2,(H,20,21,22)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155230
PNG
(CHEMBL187903 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(5,...)
Show SMILES Cc1cc2ncn(CC(=O)Nc3ncc(s3)C3CCC3)c2cc1C
Show InChI InChI=1S/C18H20N4OS/c1-11-6-14-15(7-12(11)2)22(10-20-14)9-17(23)21-18-19-8-16(24-18)13-4-3-5-13/h6-8,10,13H,3-5,9H2,1-2H3,(H,19,21,23)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155207
PNG
(1-(5-Cyclobutyl-thiazol-2-yl)-3-quinolin-5-yl-urea...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2ncccc12
Show InChI InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)11-4-1-5-11)20-14-8-2-7-13-12(14)6-3-9-18-13/h2-3,6-11H,1,4-5H2,(H2,19,20,21,22)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50415044
PNG
(CHEMBL569587)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1cn(cn1)[C@@H]1C[C@@H](C1)NC(=O)c1ccccn1
Show InChI InChI=1S/C25H23N5O2/c31-24(12-18-8-5-7-17-6-1-2-9-21(17)18)29-23-15-30(16-27-23)20-13-19(14-20)28-25(32)22-10-3-4-11-26-22/h1-11,15-16,19-20H,12-14H2,(H,28,32)(H,29,31)/t19-,20+
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50155235
PNG
(CHEMBL186470 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(2-...)
Show SMILES Cc1nc2ccc(CC(=O)Nc3ncc(s3)C3CCC3)cc2s1
Show InChI InChI=1S/C17H17N3OS2/c1-10-19-13-6-5-11(7-14(13)22-10)8-16(21)20-17-18-9-15(23-17)12-3-2-4-12/h5-7,9,12H,2-4,8H2,1H3,(H,18,20,21)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155214
PNG
(CHEMBL186240 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(1H...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C17H17N3OS/c21-16(8-12-9-18-14-7-2-1-6-13(12)14)20-17-19-10-15(22-17)11-4-3-5-11/h1-2,6-7,9-11,18H,3-5,8H2,(H,19,20,21)
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens)
BDBM50012647
PNG
(CHEMBL2396989)
Show SMILES NC1=N[C@]2(COC[C@H]2CS1)c1cc(NC(=O)c2ccc(F)cn2)ccc1F
Show InChI InChI=1S/C18H16F2N4O2S/c19-11-1-4-15(22-6-11)16(25)23-12-2-3-14(20)13(5-12)18-9-26-7-10(18)8-27-17(21)24-18/h1-6,10H,7-9H2,(H2,21,24)(H,23,25)/t10-,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 by FRET assay


Bioorg Med Chem Lett 26: 5729-5731 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.055
BindingDB Entry DOI: 10.7270/Q2W66NRR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens)
BDBM50203710
PNG
(CHEMBL3891534)
Show SMILES NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F
Show InChI InChI=1S/C18H16ClFN4O2S/c19-11-1-4-15(22-8-11)16(25)23-12-2-3-14(20)13(7-12)18-10(5-6-26-18)9-27-17(21)24-18/h1-4,7-8,10H,5-6,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin)


Bioorg Med Chem Lett 26: 5729-5731 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.055
BindingDB Entry DOI: 10.7270/Q2W66NRR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155225
PNG
(CHEMBL365855 | N-(5-Cyclobutyl-thiazol-2-yl)-2-phe...)
Show SMILES O=C(Cc1ccccc1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C15H16N2OS/c18-14(9-11-5-2-1-3-6-11)17-15-16-10-13(19-15)12-7-4-8-12/h1-3,5-6,10,12H,4,7-9H2,(H,16,17,18)
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50155230
PNG
(CHEMBL187903 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(5,...)
Show SMILES Cc1cc2ncn(CC(=O)Nc3ncc(s3)C3CCC3)c2cc1C
Show InChI InChI=1S/C18H20N4OS/c1-11-6-14-15(7-12(11)2)22(10-20-14)9-17(23)21-18-19-8-16(24-18)13-4-3-5-13/h6-8,10,13H,3-5,9H2,1-2H3,(H,19,21,23)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50155236
PNG
(CHEMBL363954 | N-(5-Cyclobutyl-thiazol-2-yl)-2-qui...)
Show SMILES O=C(Cc1ccc2ncccc2c1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)13-3-1-4-13)10-12-6-7-15-14(9-12)5-2-8-19-15/h2,5-9,11,13H,1,3-4,10H2,(H,20,21,22)
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50415042
PNG
(CHEMBL582813)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1cn(cn1)[C@@H]1C[C@@H](C1)NC(=O)c1ccncc1
Show InChI InChI=1S/C25H23N5O2/c31-24(12-19-6-3-5-17-4-1-2-7-22(17)19)29-23-15-30(16-27-23)21-13-20(14-21)28-25(32)18-8-10-26-11-9-18/h1-11,15-16,20-21H,12-14H2,(H,28,32)(H,29,31)/t20-,21+
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50169367
PNG
(CHEMBL3804970)
Show SMILES Cc1noc(C)c1[C@@H]1C[C@](C)(N=C(N)S1)c1cc(NC(=O)c2ccc(Cl)cn2)c(F)cc1F
Show InChI InChI=1S/C22H20ClF2N5O2S/c1-10-19(11(2)32-30-10)18-8-22(3,29-21(26)33-18)13-6-17(15(25)7-14(13)24)28-20(31)16-5-4-12(23)9-27-16/h4-7,9,18H,8H2,1-3H3,(H2,26,29)(H,28,31)/t18-,22-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta 40 or amyloid beta 42 production incuba...


ACS Med Chem Lett 7: 271-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00432
BindingDB Entry DOI: 10.7270/Q2NS0WTZ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50155231
PNG
(2-(1H-Benzoimidazol-5-yl)-N-(5-cyclobutyl-thiazol-...)
Show SMILES O=C(Cc1ccc2nc[nH]c2c1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C16H16N4OS/c21-15(7-10-4-5-12-13(6-10)19-9-18-12)20-16-17-8-14(22-16)11-2-1-3-11/h4-6,8-9,11H,1-3,7H2,(H,18,19)(H,17,20,21)
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n/an/a 33n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens)
BDBM50203709
PNG
(CHEMBL3909581)
Show SMILES NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ncc(Cl)cc2Cl)ccc1F
Show InChI InChI=1S/C18H15Cl2FN4O2S/c19-10-5-13(20)15(23-7-10)16(26)24-11-1-2-14(21)12(6-11)18-9(3-4-27-18)8-28-17(22)25-18/h1-2,5-7,9H,3-4,8H2,(H2,22,25)(H,24,26)/t9-,18+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin)


Bioorg Med Chem Lett 26: 5729-5731 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.055
BindingDB Entry DOI: 10.7270/Q2W66NRR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens)
BDBM50203708
PNG
(CHEMBL3919597)
Show SMILES NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ccc(Br)cn2)ccc1F
Show InChI InChI=1S/C18H16BrFN4O2S/c19-11-1-4-15(22-8-11)16(25)23-12-2-3-14(20)13(7-12)18-10(5-6-26-18)9-27-17(21)24-18/h1-4,7-8,10H,5-6,9H2,(H2,21,24)(H,23,25)/t10-,18+/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin)


Bioorg Med Chem Lett 26: 5729-5731 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.055
BindingDB Entry DOI: 10.7270/Q2W66NRR
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens)
BDBM50203703
PNG
(CHEMBL3980733)
Show SMILES NC1=N[C@]2(OCC[C@H]2CS1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1S/C19H16FN5O2S/c20-15-3-2-13(24-17(26)16-4-1-11(8-21)9-23-16)7-14(15)19-12(5-6-27-19)10-28-18(22)25-19/h1-4,7,9,12H,5-6,10H2,(H2,22,25)(H,24,26)/t12-,19+/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of BACE1 (unknown origin)


Bioorg Med Chem Lett 26: 5729-5731 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.055
BindingDB Entry DOI: 10.7270/Q2W66NRR
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50155214
PNG
(CHEMBL186240 | N-(5-Cyclobutyl-thiazol-2-yl)-2-(1H...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C17H17N3OS/c21-16(8-12-9-18-14-7-2-1-6-13(12)14)20-17-19-10-15(22-17)11-4-3-5-11/h1-2,6-7,9-11,18H,3-5,8H2,(H,19,20,21)
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n/an/a 40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155232
PNG
(1-(3H-Benzotriazol-4-yl)-3-(5-cyclobutyl-thiazol-2...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2nn[nH]c12
Show InChI InChI=1S/C14H14N6OS/c21-13(16-9-5-2-6-10-12(9)19-20-18-10)17-14-15-7-11(22-14)8-3-1-4-8/h2,5-8H,1,3-4H2,(H,18,19,20)(H2,15,16,17,21)
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n/an/a 41n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50155207
PNG
(1-(5-Cyclobutyl-thiazol-2-yl)-3-quinolin-5-yl-urea...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2ncccc12
Show InChI InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)11-4-1-5-11)20-14-8-2-7-13-12(14)6-3-9-18-13/h2-3,6-11H,1,4-5H2,(H2,19,20,21,22)
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n/an/a 43n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155222
PNG
(1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-6-yl-u...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1ccc2cnccc2c1
Show InChI InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)11-2-1-3-11)20-14-5-4-13-9-18-7-6-12(13)8-14/h4-11H,1-3H2,(H2,19,20,21,22)
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n/an/a 44n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155221
PNG
(1-(5-Cyclobutyl-thiazol-2-yl)-3-quinolin-6-yl-urea...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1ccc2ncccc2c1
Show InChI InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)11-3-1-4-11)20-13-6-7-14-12(9-13)5-2-8-18-14/h2,5-11H,1,3-4H2,(H2,19,20,21,22)
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n/an/a 44n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50415043
PNG
(CHEMBL569586)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1cn(cn1)[C@@H]1C[C@@H](C1)NC(=O)c1cccnc1
Show InChI InChI=1S/C25H23N5O2/c31-24(11-18-7-3-6-17-5-1-2-9-22(17)18)29-23-15-30(16-27-23)21-12-20(13-21)28-25(32)19-8-4-10-26-14-19/h1-10,14-16,20-21H,11-13H2,(H,28,32)(H,29,31)/t20-,21+
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50415026
PNG
(CHEMBL571565)
Show SMILES O=C(Cc1cccc2ccccc12)Nc1cn(cn1)C1CCC1
Show InChI InChI=1S/C19H19N3O/c23-19(21-18-12-22(13-20-18)16-8-4-9-16)11-15-7-3-6-14-5-1-2-10-17(14)15/h1-3,5-7,10,12-13,16H,4,8-9,11H2,(H,21,23)
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155220
PNG
(CHEMBL364338 | N-(5-Cyclobutyl-thiazol-2-yl)-2-ind...)
Show SMILES O=C(Cn1ccc2ccccc12)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C17H17N3OS/c21-16(11-20-9-8-12-4-1-2-7-14(12)20)19-17-18-10-15(22-17)13-5-3-6-13/h1-2,4,7-10,13H,3,5-6,11H2,(H,18,19,21)
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50155213
PNG
(1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-8-yl-u...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2ccncc12
Show InChI InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)12-4-1-5-12)20-14-6-2-3-11-7-8-18-9-13(11)14/h2-3,6-10,12H,1,4-5H2,(H2,19,20,21,22)
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n/an/a 55n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155225
PNG
(CHEMBL365855 | N-(5-Cyclobutyl-thiazol-2-yl)-2-phe...)
Show SMILES O=C(Cc1ccccc1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C15H16N2OS/c18-14(9-11-5-2-1-3-6-11)17-15-16-10-13(19-15)12-7-4-8-12/h1-3,5-6,10,12H,4,7-9H2,(H,16,17,18)
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n/an/a 64n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155206
PNG
(CHEMBL186511 | N-(5-Cyclopentyl-thiazol-2-yl)-2-ph...)
Show SMILES O=C(Cc1ccccc1)Nc1ncc(s1)C1CCCC1
Show InChI InChI=1S/C16H18N2OS/c19-15(10-12-6-2-1-3-7-12)18-16-17-11-14(20-16)13-8-4-5-9-13/h1-3,6-7,11,13H,4-5,8-10H2,(H,17,18,19)
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n/an/a 64n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155210
PNG
(CHEMBL426972 | N-(5-Isopropyl-thiazol-2-yl)-2-phen...)
Show SMILES CC(C)c1cnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C14H16N2OS/c1-10(2)12-9-15-14(18-12)16-13(17)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,16,17)
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n/an/a 64n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50088170
PNG
(CHEMBL3427247)
Show SMILES Cc1noc(C)c1[C@@H]1C[C@H](N=C(N)S1)c1cc(c(F)cc1F)-c1cncnc1
Show InChI InChI=1S/C19H17F2N5OS/c1-9-18(10(2)27-26-9)17-5-16(25-19(22)28-17)13-3-12(14(20)4-15(13)21)11-6-23-8-24-7-11/h3-4,6-8,16-17H,5H2,1-2H3,(H2,22,25)/t16-,17-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of BACE1 in human H4 cells expressing APP751 Swedish mutant assessed as inhibition of amyloid beta 40 or amyloid beta 42 production incuba...


ACS Med Chem Lett 7: 271-6 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00432
BindingDB Entry DOI: 10.7270/Q2NS0WTZ
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50155237
PNG
(CHEMBL184404 | N-(5-Cyclobutyl-thiazol-2-yl)-2-iso...)
Show SMILES O=C(Cc1cccc2cnccc12)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C18H17N3OS/c22-17(21-18-20-11-16(23-18)12-3-1-4-12)9-13-5-2-6-14-10-19-8-7-15(13)14/h2,5-8,10-12H,1,3-4,9H2,(H,20,21,22)
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n/an/a 70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50155225
PNG
(CHEMBL365855 | N-(5-Cyclobutyl-thiazol-2-yl)-2-phe...)
Show SMILES O=C(Cc1ccccc1)Nc1ncc(s1)C1CCC1
Show InChI InChI=1S/C15H16N2OS/c18-14(9-11-5-2-1-3-6-11)17-15-16-10-13(19-15)12-7-4-8-12/h1-3,5-6,10,12H,4,7-9H2,(H,16,17,18)
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n/an/a 74n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50155216
PNG
(CHEMBL185734 | N-(5-Methylsulfanyl-thiazol-2-yl)-2...)
Show SMILES CSc1cnc(NC(=O)Cc2ccccc2)s1
Show InChI InChI=1S/C12H12N2OS2/c1-16-11-8-13-12(17-11)14-10(15)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,13,14,15)
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n/an/a 91n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin-dependent kinase 5 was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (human))
BDBM50415033
PNG
(CHEMBL571781)
Show SMILES COc1ccc(CC(=O)Nc2cn(cn2)[C@@H]2C[C@H](O)C2)cc1
Show InChI InChI=1S/C16H19N3O3/c1-22-14-4-2-11(3-5-14)6-16(21)18-15-9-19(10-17-15)12-7-13(20)8-12/h2-5,9-10,12-13,20H,6-8H2,1H3,(H,18,21)/t12-,13+
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n/an/a 95n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25 by scintillation proximity assay


Bioorg Med Chem Lett 19: 5703-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.08.019
BindingDB Entry DOI: 10.7270/Q29G5P29
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (human))
BDBM50155209
PNG
(1-(5-Cyclobutyl-thiazol-2-yl)-3-isoquinolin-5-yl-u...)
Show SMILES O=C(Nc1ncc(s1)C1CCC1)Nc1cccc2cnccc12
Show InChI InChI=1S/C17H16N4OS/c22-16(21-17-19-10-15(23-17)11-3-1-4-11)20-14-6-2-5-12-9-18-8-7-13(12)14/h2,5-11H,1,3-4H2,(H2,19,20,21,22)
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n/an/a 96n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Concentration required for inhibition of cyclin dependant kinase 2-cyclin E was measured by scintillation proximity assay


Bioorg Med Chem Lett 14: 5521-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.006
BindingDB Entry DOI: 10.7270/Q2D50MFB
More data for this
Ligand-Target Pair
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