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PubMed code 17303421

Compile data set for download or QSAR
Found 56 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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20n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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35n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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150n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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220n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of ERK


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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320n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of PKCd


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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340n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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480n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of PKCd


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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500n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of GSKp1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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1.70E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of PKCd


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of GSKp1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of PKCa


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of GSKp1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of PKCa


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of PKCa


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of PKAP1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of EPHB3


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of FYN


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of EPHB3


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of FYN


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of FYN


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of ERK


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of ERK


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of PKAP1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Ephrin type-B receptor 3 (EPHB3)


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of EPHB3


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of CDK2


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of PKAP1


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human H460a cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human HCT116 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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n/an/a 1.14E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human MDA435 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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n/an/a 1.28E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human MDA435 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205475
PNG
((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...)
Show SMILES OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:17.19,t:12|
Show InChI InChI=1S/C22H19N3O2S/c26-14-18(12-15-5-2-1-3-6-15)24-22-25-21(27)20(28-22)13-16-8-9-19-17(11-16)7-4-10-23-19/h1-11,13,18,26H,12,14H2,(H,24,25,27)/t18-/m1/s1
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n/an/a 1.39E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human RKO cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205475
PNG
((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...)
Show SMILES OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:17.19,t:12|
Show InChI InChI=1S/C22H19N3O2S/c26-14-18(12-15-5-2-1-3-6-15)24-22-25-21(27)20(28-22)13-16-8-9-19-17(11-16)7-4-10-23-19/h1-11,13,18,26H,12,14H2,(H,24,25,27)/t18-/m1/s1
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n/an/a 1.58E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human HCT116 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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n/an/a 1.82E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human H460a cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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n/an/a 1.85E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SJSA1 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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n/an/a 1.86E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human RKO cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human RKO cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205475
PNG
((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...)
Show SMILES OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:17.19,t:12|
Show InChI InChI=1S/C22H19N3O2S/c26-14-18(12-15-5-2-1-3-6-15)24-22-25-21(27)20(28-22)13-16-8-9-19-17(11-16)7-4-10-23-19/h1-11,13,18,26H,12,14H2,(H,24,25,27)/t18-/m1/s1
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n/an/a 2.03E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human MDA435 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW480 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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n/an/a 2.34E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human RKO cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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n/an/a 2.41E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human HCT116 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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n/an/a 2.49E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human H460a cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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n/an/a 2.53E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human HCT116 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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n/an/a 2.84E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SJSA1 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205475
PNG
((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...)
Show SMILES OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:17.19,t:12|
Show InChI InChI=1S/C22H19N3O2S/c26-14-18(12-15-5-2-1-3-6-15)24-22-25-21(27)20(28-22)13-16-8-9-19-17(11-16)7-4-10-23-19/h1-11,13,18,26H,12,14H2,(H,24,25,27)/t18-/m1/s1
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n/an/a 3.07E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW480 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205468
PNG
((Z)-2-amino-5-(quinolin-6-ylmethylene)thiazol-4(5H...)
Show SMILES NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
Show InChI InChI=1S/C13H9N3OS/c14-13-16-12(17)11(18-13)7-8-3-4-10-9(6-8)2-1-5-15-10/h1-7H,(H2,14,16,17)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW480 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205475
PNG
((R,Z)-2-(1-hydroxy-3-phenylpropan-2-ylamino)-5-(qu...)
Show SMILES OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:17.19,t:12|
Show InChI InChI=1S/C22H19N3O2S/c26-14-18(12-15-5-2-1-3-6-15)24-22-25-21(27)20(28-22)13-16-8-9-19-17(11-16)7-4-10-23-19/h1-11,13,18,26H,12,14H2,(H,24,25,27)/t18-/m1/s1
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n/an/a 3.24E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SJSA1 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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n/an/a 3.34E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human MDA435 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205472
PNG
((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...)
Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2|
Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)
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n/an/a 4.55E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SJSA1 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50205477
PNG
((Z)-2-((1R,2S)-2-phenylcyclopropylamino)-5-(quinol...)
Show SMILES O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
Show InChI InChI=1S/C22H17N3OS/c26-21-20(12-14-8-9-18-16(11-14)7-4-10-23-18)27-22(25-21)24-19-13-17(19)15-5-2-1-3-6-15/h1-12,17,19H,13H2,(H,24,25,26)/t17-,19+/m0/s1
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n/an/a 6.58E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Antiproliferative activity against human SW480 cells


Bioorg Med Chem Lett 17: 2134-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.081
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%