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Compile Data Set for Download or QSAR

Found 153 hits with Last Name = 'marzaro' and Initial = 'g'   
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
Calcium/calmodulin-dependent protein kinase type 1


(Homo sapiens (Human))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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<10n/an/an/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of wild-type human full length CAMK1A (M1 to L370 residues) expressed in bacterial expression system assessed as residual activity at 50 n...


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Homeodomain-interacting protein kinase 1


(Homo sapiens (Human))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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<10n/an/an/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of wild-type human partial length HIPK1 (M146 to I555 residues) expressed in mammalian expression system assessed as residual activity at ...


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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<10n/an/an/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of wild-type human partial length PIM1 (A15 to K313 residues) expressed in bacterial expression system assessed as residual activity at 50...


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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<10n/an/an/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system assessed as residual activity at...


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr...


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr...


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a 2n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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n/an/a 2n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr...


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50139171
PNG
(Dinaciclib | MK-7965 | SCH-727965 | US11643396, Ex...)
Show SMILES CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
Show InChI InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr...


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a 5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50512262
PNG
(CHEMBL4589103)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C24H31N7O/c1-29(2)23(32)21-15-17-16-26-24(28-22(17)31(21)20-5-3-4-6-20)27-18-7-9-19(10-8-18)30-13-11-25-12-14-30/h7-10,15-16,20,25H,3-6,11-14H2,1-2H3,(H,26,27,28)
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n/an/a 5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK4/CyclinD1 (unknown origin) assessed as reduction in retinoblastoma phosphorylation at S473 residue by ELISA


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM6309
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
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n/an/a 9n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK4/CyclinD1 (unknown origin) assessed as reduction in retinoblastoma phosphorylation at S473 residue by ELISA


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM6309
PNG
(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)
Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O
Show InChI InChI=1S/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
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n/an/a 15n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 20n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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n/an/a 24n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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n/an/a 24n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Eur J Med Chem 67: 373-83 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.057
BindingDB Entry DOI: 10.7270/Q2SN0BCC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50439333
PNG
(CHEMBL2419762)
Show SMILES C1COc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2OC1
Show InChI InChI=1S/C23H19N3O2/c1-2-6-16(7-3-1)17-8-4-9-18(12-17)26-23-19-13-21-22(28-11-5-10-27-21)14-20(19)24-15-25-23/h1-4,6-9,12-15H,5,10-11H2,(H,24,25,26)
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n/an/a 27n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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n/an/a 32n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6


(Homo sapiens (Human))
BDBM148264
PNG
(7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)p...)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
Show InChI InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 39n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK6 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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n/an/a 42n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM21
PNG
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 44n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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n/an/a 51n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Eur J Med Chem 67: 373-83 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.057
BindingDB Entry DOI: 10.7270/Q2SN0BCC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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n/an/a 51n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439333
PNG
(CHEMBL2419762)
Show SMILES C1COc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2OC1
Show InChI InChI=1S/C23H19N3O2/c1-2-6-16(7-3-1)17-8-4-9-18(12-17)26-23-19-13-21-22(28-11-5-10-27-21)14-20(19)24-15-25-23/h1-4,6-9,12-15H,5,10-11H2,(H,24,25,26)
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n/an/a 56n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50439333
PNG
(CHEMBL2419762)
Show SMILES C1COc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2OC1
Show InChI InChI=1S/C23H19N3O2/c1-2-6-16(7-3-1)17-8-4-9-18(12-17)26-23-19-13-21-22(28-11-5-10-27-21)14-20(19)24-15-25-23/h1-4,6-9,12-15H,5,10-11H2,(H,24,25,26)
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n/an/a 56n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin)


Eur J Med Chem 67: 373-83 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.057
BindingDB Entry DOI: 10.7270/Q2SN0BCC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a 57n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50439333
PNG
(CHEMBL2419762)
Show SMILES C1COc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2OC1
Show InChI InChI=1S/C23H19N3O2/c1-2-6-16(7-3-1)17-8-4-9-18(12-17)26-23-19-13-21-22(28-11-5-10-27-21)14-20(19)24-15-25-23/h1-4,6-9,12-15H,5,10-11H2,(H,24,25,26)
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n/an/a 63n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analys...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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n/an/a 63n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analys...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK4 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin)


Eur J Med Chem 67: 373-83 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.057
BindingDB Entry DOI: 10.7270/Q2SN0BCC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM21
PNG
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 151n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Abl1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/a 170n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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n/an/a 178n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analys...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM21
PNG
(CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/a 190n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysi...


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK9 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50439335
PNG
(CHEMBL2419760)
Show SMILES C1Oc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2O1
Show InChI InChI=1S/C21H15N3O2/c1-2-5-14(6-3-1)15-7-4-8-16(9-15)24-21-17-10-19-20(26-13-25-19)11-18(17)22-12-23-21/h1-12H,13H2,(H,22,23,24)
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n/an/a 243n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin)


Eur J Med Chem 67: 373-83 (2013)


Article DOI: 10.1016/j.ejmech.2013.06.057
BindingDB Entry DOI: 10.7270/Q2SN0BCC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK5 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a 300n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 330n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a>500n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50439334
PNG
(CHEMBL2419761)
Show SMILES C1COc2cc3c(Nc4cccc(c4)-c4ccccc4)ncnc3cc2O1
Show InChI InChI=1S/C22H17N3O2/c1-2-5-15(6-3-1)16-7-4-8-17(11-16)25-22-18-12-20-21(27-10-9-26-20)13-19(18)23-14-24-22/h1-8,11-14H,9-10H2,(H,23,24,25)
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n/an/a 642n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50439333
PNG
(CHEMBL2419762)
Show SMILES C1COc2cc3ncnc(Nc4cccc(c4)-c4ccccc4)c3cc2OC1
Show InChI InChI=1S/C23H19N3O2/c1-2-6-16(7-3-1)17-8-4-9-18(12-17)26-23-19-13-21-22(28-11-5-10-27-21)14-20(19)24-15-25-23/h1-4,6-9,12-15H,5,10-11H2,(H,24,25,26)
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n/an/a 645n/an/an/an/an/an/a



Universit£ degli Studi di Padova

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) assessed as incorporation of [32P] gamma-ATP in to myelin basic protein after 30 mins by autoradiographic analysis


J Med Chem 57: 4598-605 (2014)


Article DOI: 10.1021/jm500034j
BindingDB Entry DOI: 10.7270/Q2KH0PW0
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 7


(Homo sapiens (Human))
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK7 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50110183
PNG
(Abemaciclib | LY-2835219 | US10626107, Example LY2...)
Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of CDK1 (unknown origin)


Eur J Med Chem 172: 143-153 (2019)


Article DOI: 10.1016/j.ejmech.2019.03.064
BindingDB Entry DOI: 10.7270/Q27M0C84
More data for this
Ligand-Target Pair
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