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40 similar compounds to monomer 50267719

Compile data set for download or QSAR
Wt: 388.8
BDBM27216
Purchase
Wt: 331.8
BDBM50073758
Wt: 385.8
BDBM50073759
Wt: 372.8
BDBM50073762
Wt: 386.8
BDBM50073766
Wt: 332.7
BDBM50073786
Wt: 385.8
BDBM50073794
Wt: 386.8
BDBM50093397
Wt: 374.8
BDBM50113680
Wt: 404.8
BDBM50113682
Wt: 381.2
BDBM50113683
Wt: 388.8
BDBM50113684
Wt: 346.8
BDBM50113689
Wt: 436.9
BDBM50113690
Wt: 422.9
BDBM50113691
Displayed 1 to 15 (of 40 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 27216,50073758,50073759,50073762,50073766,50073786,50073794,50093397,50113680,50113682,50113683,50113684,50113689,50113690,50113691   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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PubMed
100n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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300n/an/an/an/an/an/an/an/a



University of Dundee

Curated by PDSP Ki Database




Biochem J 371: 199-204 (2003)


Article DOI: 10.1042/BJ20021535
BindingDB Entry DOI: 10.7270/Q2KH0KV9
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 4n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 70n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 75n/an/an/an/a7.530



Universite de Lyon



Assay Description
In vitro kinase assay using purified enzyme, was incubated at 30 °C with substrate, and test compounds in the presence of 15 uM ATP/ [gamma-33P]...


J Med Chem 52: 655-63 (2009)


Article DOI: 10.1021/jm801340z
BindingDB Entry DOI: 10.7270/Q2WQ024J
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM50113680
PNG
((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C18H23ClN6O/c1-4-13(9-26)22-18-23-16(21-14-7-5-6-12(19)8-14)15-17(24-18)25(10-20-15)11(2)3/h5-8,10-11,13,26H,4,9H2,1-3H3,(H2,21,22,23,24)/t13-/s2
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n/an/an/an/a 9.54E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TX3CSC
More data for this
Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2


(Homo sapiens (Human))
BDBM50113680
PNG
((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C18H23ClN6O/c1-4-13(9-26)22-18-23-16(21-14-7-5-6-12(19)8-14)15-17(24-18)25(10-20-15)11(2)3/h5-8,10-11,13,26H,4,9H2,1-3H3,(H2,21,22,23,24)/t13-/s2
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n/an/an/an/a 1.06E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2M32T6M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50113682
PNG
(3-[[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)CCCO
Show InChI InChI=1S/C19H25ClN6O2/c1-13(2)26-12-21-16-17(22-15-6-3-5-14(20)11-15)23-19(24-18(16)26)25(8-10-28)7-4-9-27/h3,5-6,11-13,27-28H,4,7-10H2,1-2H3,(H,22,23,24)
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n/an/an/an/a 2.86E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 33


(Homo sapiens (Human))
BDBM50113680
PNG
((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C18H23ClN6O/c1-4-13(9-26)22-18-23-16(21-14-7-5-6-12(19)8-14)15-17(24-18)25(10-20-15)11(2)3/h5-8,10-11,13,26H,4,9H2,1-3H3,(H2,21,22,23,24)/t13-/s2
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n/an/an/an/a 2.49E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: STK33 Kinase, Non-ATP Competitive Inhibitor Assay Overview: Purified STK33 Kinase is preincubated with potential inhibitors and allowed to ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B27SRF
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM50113682
PNG
(3-[[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)CCCO
Show InChI InChI=1S/C19H25ClN6O2/c1-13(2)26-12-21-16-17(22-15-6-3-5-14(20)11-15)23-19(24-18(16)26)25(8-10-28)7-4-9-27/h3,5-6,11-13,27-28H,4,7-10H2,1-2H3,(H,22,23,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM50113680
PNG
((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C18H23ClN6O/c1-4-13(9-26)22-18-23-16(21-14-7-5-6-12(19)8-14)15-17(24-18)25(10-20-15)11(2)3/h5-8,10-11,13,26H,4,9H2,1-3H3,(H2,21,22,23,24)/t13-/s2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 240n/an/an/an/a7.44



ARIAD Pharmaceuticals Inc



Assay Description
Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...


Chem Biol Drug Des 67: 46-57 (2006)


Article DOI: 10.1111/j.1747-0285.2005.00316.x
BindingDB Entry DOI: 10.7270/Q2M61HRQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 70n/an/an/an/a7.44



ARIAD Pharmaceuticals Inc



Assay Description
Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...


Chem Biol Drug Des 67: 46-57 (2006)


Article DOI: 10.1111/j.1747-0285.2005.00316.x
BindingDB Entry DOI: 10.7270/Q2M61HRQ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50073794
PNG
(CHEMBL367691 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-c...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-15-5-3-4-12(20)10-15)25-19(26-18(16)27)24-14-8-6-13(21)7-9-14/h3-5,10-11,13-14H,2,6-9,21H2,1H3,(H2,23,24,25,26)/t13-,14-
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n/an/a 39n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50073759
PNG
(CHEMBL173459 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-c...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-15-5-3-4-12(20)10-15)25-19(26-18(16)27)24-14-8-6-13(21)7-9-14/h3-5,10-11,13-14H,2,6-9,21H2,1H3,(H2,23,24,25,26)/t13-,14+
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n/an/a 140n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073758
PNG
(CHEMBL173647 | N*2*-(2-Amino-ethyl)-N*6*-(3-chloro...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(NCCN)nc12
Show InChI InChI=1S/C15H18ClN7/c1-2-23-9-19-12-13(20-11-5-3-4-10(16)8-11)21-15(18-7-6-17)22-14(12)23/h3-5,8-9H,2,6-7,17H2,1H3,(H2,18,20,21,22)
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n/an/a 3.15E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50073766
PNG
(CHEMBL176559 | {1-[6-(3-Chloro-phenylamino)-9-ethy...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCCCC1CO
Show InChI InChI=1/C19H23ClN6O/c1-2-25-12-21-16-17(22-14-7-5-6-13(20)10-14)23-19(24-18(16)25)26-9-4-3-8-15(26)11-27/h5-7,10,12,15,27H,2-4,8-9,11H2,1H3,(H,22,23,24)
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n/an/a 39n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50073762
PNG
(CHEMBL366734 | {(R)-1-[6-(3-Chloro-phenylamino)-9-...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
Show InChI InChI=1S/C18H21ClN6O/c1-2-24-11-20-15-16(21-13-6-3-5-12(19)9-13)22-18(23-17(15)24)25-8-4-7-14(25)10-26/h3,5-6,9,11,14,26H,2,4,7-8,10H2,1H3,(H,21,22,23)/t14-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50073758
PNG
(CHEMBL173647 | N*2*-(2-Amino-ethyl)-N*6*-(3-chloro...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(NCCN)nc12
Show InChI InChI=1S/C15H18ClN7/c1-2-23-9-19-12-13(20-11-5-3-4-10(16)8-11)21-15(18-7-6-17)22-14(12)23/h3-5,8-9H,2,6-7,17H2,1H3,(H2,18,20,21,22)
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n/an/a 80n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073762
PNG
(CHEMBL366734 | {(R)-1-[6-(3-Chloro-phenylamino)-9-...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
Show InChI InChI=1S/C18H21ClN6O/c1-2-24-11-20-15-16(21-13-6-3-5-12(19)9-13)22-18(23-17(15)24)25-8-4-7-14(25)10-26/h3,5-6,9,11,14,26H,2,4,7-8,10H2,1H3,(H,21,22,23)/t14-/m1/s1
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n/an/a 3.85E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50073786
PNG
(2-[6-(3-Chloro-phenylamino)-9-ethyl-9H-purin-2-yla...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
Show InChI InChI=1S/C15H17ClN6O/c1-2-22-9-18-12-13(19-11-5-3-4-10(16)8-11)20-15(17-6-7-23)21-14(12)22/h3-5,8-9,23H,2,6-7H2,1H3,(H2,17,19,20,21)
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n/an/a 330n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50073759
PNG
(CHEMBL173459 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-c...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-15-5-3-4-12(20)10-15)25-19(26-18(16)27)24-14-8-6-13(21)7-9-14/h3-5,10-11,13-14H,2,6-9,21H2,1H3,(H2,23,24,25,26)/t13-,14+
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n/an/a 3.85E+4n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory concentration against Cyclin dependent kinase 1.


Bioorg Med Chem Lett 13: 2993-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00632-2
BindingDB Entry DOI: 10.7270/Q270820N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdk2/cyclin E


Science 281: 533-538 (1998)


Article DOI: 10.1126/science.281.5376.533
BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein kinase C, eta


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCeta


Science 281: 533-538 (1998)


Article DOI: 10.1126/science.281.5376.533
BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCalpha


Science 281: 533-538 (1998)


Article DOI: 10.1126/science.281.5376.533
BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cdc2


(Asterina pectinifera)
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of starfish cdc2/cyclin B assessed as [32P] incorporation in histone H1 from 1.5 mM [gamma32P]ATP


Science 281: 533-538 (1998)


Article DOI: 10.1126/science.281.5376.533
BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human cdc2/cyclin B assessed as [32P] incorporation in histone H1 from [gamma32P]ATP


Science 281: 533-538 (1998)


Article DOI: 10.1126/science.281.5376.533
BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human PKCbeta2


Science 281: 533-538 (1998)


Article DOI: 10.1126/science.281.5376.533
BindingDB Entry DOI: 10.7270/Q28G8MMG
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of Cyclin E-cyclin-dependent kinase 2


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of Cyclin D1-cyclin-dependent kinase 4


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of cAMP-dependent protein kinase


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of Cyclin A-cyclin-dependent kinase 2


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of Cyclin B-cyclin-dependent kinase 1


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50113680
PNG
((R)-2-(6-(3-chlorophenylamino)-9-isopropyl-9H-puri...)
Show SMILES CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1/C18H23ClN6O/c1-4-13(9-26)22-18-23-16(21-14-7-5-6-12(19)8-14)15-17(24-18)25(10-20-15)11(2)3/h5-8,10-11,13,26H,4,9H2,1-3H3,(H2,21,22,23,24)/t13-/s2
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n/an/a 3.00E+5n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50113683
PNG
(2-[6-(2,4-Dichloro-phenylamino)-9-isopropyl-9H-pur...)
Show SMILES CC(C)n1cnc2c(Nc3ccc(Cl)cc3Cl)nc(NCCO)nc12
Show InChI InChI=1S/C16H18Cl2N6O/c1-9(2)24-8-20-13-14(21-12-4-3-10(17)7-11(12)18)22-16(19-5-6-25)23-15(13)24/h3-4,7-9,25H,5-6H2,1-2H3,(H2,19,21,22,23)
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n/an/a 2.70E+6n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50113682
PNG
(3-[[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)CCCO
Show InChI InChI=1S/C19H25ClN6O2/c1-13(2)26-12-21-16-17(22-15-6-3-5-14(20)11-15)23-19(24-18(16)26)25(8-10-28)7-4-9-27/h3,5-6,11-13,27-28H,4,7-10H2,1-2H3,(H,22,23,24)
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n/an/a 2.30E+5n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50113684
PNG
(2-[6-(4-Chloro-phenylamino)-9-isopropyl-9H-purin-2...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-13(20)6-8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50113689
PNG
(2-[6-(2-Chloro-phenylamino)-9-isopropyl-9H-purin-2...)
Show SMILES CC(C)n1cnc2c(Nc3ccccc3Cl)nc(NCCO)nc12
Show InChI InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-6-4-3-5-11(12)17)21-16(18-7-8-24)22-15(13)23/h3-6,9-10,24H,7-8H2,1-2H3,(H2,18,20,21,22)
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n/an/a 4.30E+6n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50113690
PNG
(2-{Benzyl-[6-(3-chloro-phenylamino)-9-isopropyl-9H...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)Cc1ccccc1
Show InChI InChI=1S/C23H25ClN6O/c1-16(2)30-15-25-20-21(26-19-10-6-9-18(24)13-19)27-23(28-22(20)30)29(11-12-31)14-17-7-4-3-5-8-17/h3-10,13,15-16,31H,11-12,14H2,1-2H3,(H,26,27,28)
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n/an/a 5.00E+6n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50113691
PNG
(2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)c3ccccc3)nc12
Show InChI InChI=1S/C22H23ClN6O/c1-14(2)29-13-24-19-20(25-17-10-6-9-16(23)11-17)27-22(28-21(19)29)26-18(12-30)15-7-4-3-5-8-15/h3-11,13-14,18,30H,12H2,1-2H3,(H2,25,26,27,28)/t18-/m1/s1
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n/an/a 8.00E+5n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50093397
PNG
((R){1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-pur...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
Show InChI InChI=1S/C19H23ClN6O/c1-12(2)26-11-21-16-17(22-14-6-3-5-13(20)9-14)23-19(24-18(16)26)25-8-4-7-15(25)10-27/h3,5-6,9,11-12,15,27H,4,7-8,10H2,1-2H3,(H,22,23,24)/t15-/m1/s1
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n/an/a 6.20E+5n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to cyclin-dependent kinase 1 (CDK1)


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase 3 (MAPK-ERK1)


J Med Chem 45: 2366-78 (2002)


Article DOI: 10.1021/jm011002c
BindingDB Entry DOI: 10.7270/Q25B01SB
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50093397
PNG
((R){1-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-pur...)
Show SMILES CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
Show InChI InChI=1S/C19H23ClN6O/c1-12(2)26-11-21-16-17(22-14-6-3-5-13(20)9-14)23-19(24-18(16)26)25-8-4-7-15(25)10-27/h3,5-6,9,11-12,15,27H,4,7-8,10H2,1-2H3,(H,22,23,24)/t15-/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Institut Curie

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1)


J Med Chem 43: 4098-108 (2000)


Article DOI: 10.1021/jm000965t
BindingDB Entry DOI: 10.7270/Q24B321Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM27216
PNG
((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



ARIAD Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 2 (CDK2)


Bioorg Med Chem Lett 13: 3067-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00648-6
BindingDB Entry DOI: 10.7270/Q25B01V7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50073758
PNG
(CHEMBL173647 | N*2*-(2-Amino-ethyl)-N*6*-(3-chloro...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(NCCN)nc12
Show InChI InChI=1S/C15H18ClN7/c1-2-23-9-19-12-13(20-11-5-3-4-10(16)8-11)21-15(18-7-6-17)22-14(12)23/h3-5,8-9H,2,6-7,17H2,1H3,(H2,18,20,21,22)
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n/an/a 1.80E+5n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50073762
PNG
(CHEMBL366734 | {(R)-1-[6-(3-Chloro-phenylamino)-9-...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
Show InChI InChI=1S/C18H21ClN6O/c1-2-24-11-20-15-16(21-13-6-3-5-12(19)9-13)22-18(23-17(15)24)25-8-4-7-14(25)10-26/h3,5-6,9,11,14,26H,2,4,7-8,10H2,1H3,(H,21,22,23)/t14-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against cyclin-dependent kinase 1 (CDK1) was determined


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50073759
PNG
(CHEMBL173459 | N*2*-(4-Amino-cyclohexyl)-N*6*-(3-c...)
Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CC[C@H](N)CC3)nc12
Show InChI InChI=1S/C19H24ClN7/c1-2-27-11-22-16-17(23-15-5-3-4-12(20)10-15)25-19(26-18(16)27)24-14-8-6-13(21)7-9-14/h3-5,10-11,13-14H,2,6-9,21H2,1H3,(H2,23,24,25,26)/t13-,14+
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n/an/a>5.00E+5n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase A


Bioorg Med Chem Lett 9: 91-6 (1999)


Article DOI: 10.1016/s0960-894x(98)00691-x
BindingDB Entry DOI: 10.7270/Q24Q7VHT
More data for this
Ligand-Target Pair
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