Compile Data Set for Download or QSAR

Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50047222   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154931 (CHEMBL3775792) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(C)(C)O)nc12 Show InChI InChI=1S/C24H29N7O/c1-15(2)19-20-21(31-30-19)22(29-23(28-20)27-14-24(3,4)32)26-13-16-8-10-17(11-9-16)18-7-5-6-12-25-18/h5-12,15,32H,13-14H2,1-4H3,(H,30,31)(H2,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50139171 (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	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154928 (CHEMBL3775509) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCOCC1 Show InChI InChI=1S/C24H27N7O/c1-16(2)20-21-22(30-29-20)23(28-24(27-21)31-11-13-32-14-12-31)26-15-17-6-8-18(9-7-17)19-5-3-4-10-25-19/h3-10,16H,11-15H2,1-2H3,(H,29,30)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154932 (CHEMBL3774632) Show SMILES CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C23H27N7O/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-15(3)31)25-13-16-7-9-17(10-8-16)18-6-4-5-11-24-18/h4-11,14-15,31H,12-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154925 (CHEMBL3775470) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN)nc12 Show InChI InChI=1S/C22H26N8/c1-14(2)18-19-20(30-29-18)21(28-22(27-19)25-12-10-23)26-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,29,30)(H2,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154930 (CHEMBL3774932) Show SMILES CCC(CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C24H29N7O/c1-4-18(14-32)27-24-28-21-20(15(2)3)30-31-22(21)23(29-24)26-13-16-8-10-17(11-9-16)19-7-5-6-12-25-19/h5-12,15,18,32H,4,13-14H2,1-3H3,(H,30,31)(H2,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154931 (CHEMBL3775792) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(C)(C)O)nc12 Show InChI InChI=1S/C24H29N7O/c1-15(2)19-20-21(31-30-19)22(29-23(28-20)27-14-24(3,4)32)26-13-16-8-10-17(11-9-16)18-7-5-6-12-25-18/h5-12,15,32H,13-14H2,1-4H3,(H,30,31)(H2,26,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154929 (CHEMBL3775677) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(O)CO)nc12 Show InChI InChI=1S/C23H27N7O2/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-17(32)13-31)25-11-15-6-8-16(9-7-15)18-5-3-4-10-24-18/h3-10,14,17,31-32H,11-13H2,1-2H3,(H,29,30)(H2,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM6309 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154923 (CHEMBL3775608) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(N)CO)nc12 Show InChI InChI=1S/C23H28N8O/c1-14(2)19-20-21(31-30-19)22(29-23(28-20)27-12-17(24)13-32)26-11-15-6-8-16(9-7-15)18-5-3-4-10-25-18/h3-10,14,17,32H,11-13,24H2,1-2H3,(H,30,31)(H2,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154925 (CHEMBL3775470) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN)nc12 Show InChI InChI=1S/C22H26N8/c1-14(2)18-19-20(30-29-18)21(28-22(27-19)25-12-10-23)26-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,29,30)(H2,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154928 (CHEMBL3775509) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCOCC1 Show InChI InChI=1S/C24H27N7O/c1-16(2)20-21-22(30-29-20)23(28-24(27-21)31-11-13-32-14-12-31)26-15-17-6-8-18(9-7-17)19-5-3-4-10-25-19/h3-10,16H,11-15H2,1-2H3,(H,29,30)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154929 (CHEMBL3775677) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(O)CO)nc12 Show InChI InChI=1S/C23H27N7O2/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-17(32)13-31)25-11-15-6-8-16(9-7-15)18-5-3-4-10-24-18/h3-10,14,17,31-32H,11-13H2,1-2H3,(H,29,30)(H2,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154932 (CHEMBL3774632) Show SMILES CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C23H27N7O/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-15(3)31)25-13-16-7-9-17(10-8-16)18-6-4-5-11-24-18/h4-11,14-15,31H,12-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154926 (CHEMBL3774979) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C27H33N7O/c1-18(2)23-24-25(33-32-23)26(31-27(30-24)34-15-6-4-7-21(34)13-16-35)29-17-19-9-11-20(12-10-19)22-8-3-5-14-28-22/h3,5,8-12,14,18,21,35H,4,6-7,13,15-17H2,1-2H3,(H,32,33)(H,29,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154933 (CHEMBL3775502) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCO)nc12 Show InChI InChI=1S/C22H25N7O/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)24-11-12-30)25-13-15-6-8-16(9-7-15)17-5-3-4-10-23-17/h3-10,14,30H,11-13H2,1-2H3,(H,28,29)(H2,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154926 (CHEMBL3774979) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCCCC1CCO Show InChI InChI=1S/C27H33N7O/c1-18(2)23-24-25(33-32-23)26(31-27(30-24)34-15-6-4-7-21(34)13-16-35)29-17-19-9-11-20(12-10-19)22-8-3-5-14-28-22/h3,5,8-12,14,18,21,35H,4,6-7,13,15-17H2,1-2H3,(H,32,33)(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154924 (CHEMBL3775223) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r| Show InChI InChI=1S/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-21-9-4-3-7-19(21)27)29-15-17-10-12-18(13-11-17)20-8-5-6-14-28-20/h5-6,8,10-14,16,19,21H,3-4,7,9,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50139171 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154924 (CHEMBL3775223) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@@H]3CCCC[C@H]3N)nc12 |r| Show InChI InChI=1S/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-21-9-4-3-7-19(21)27)29-15-17-10-12-18(13-11-17)20-8-5-6-14-28-20/h5-6,8,10-14,16,19,21H,3-4,7,9,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154935 (CHEMBL3775479) Show SMILES CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C21H22N6S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)28-3)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154933 (CHEMBL3775502) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCO)nc12 Show InChI InChI=1S/C22H25N7O/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)24-11-12-30)25-13-15-6-8-16(9-7-15)17-5-3-4-10-23-17/h3-10,14,30H,11-13H2,1-2H3,(H,28,29)(H2,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154922 (CHEMBL3774949) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCNCC1 Show InChI InChI=1S/C24H28N8/c1-16(2)20-21-22(31-30-20)23(29-24(28-21)32-13-11-25-12-14-32)27-15-17-6-8-18(9-7-17)19-5-3-4-10-26-19/h3-10,16,25H,11-15H2,1-2H3,(H,30,31)(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154923 (CHEMBL3775608) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCC(N)CO)nc12 Show InChI InChI=1S/C23H28N8O/c1-14(2)19-20-21(31-30-19)22(29-23(28-20)27-12-17(24)13-32)26-11-15-6-8-16(9-7-15)18-5-3-4-10-25-18/h3-10,14,17,32H,11-13,24H2,1-2H3,(H,30,31)(H2,26,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154930 (CHEMBL3774932) Show SMILES CCC(CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C24H29N7O/c1-4-18(14-32)27-24-28-21-20(15(2)3)30-31-22(21)23(29-24)26-13-16-8-10-17(11-9-16)19-7-5-6-12-25-19/h5-12,15,18,32H,4,13-14H2,1-3H3,(H,30,31)(H2,26,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154927 (CHEMBL3775681) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCSCC1 Show InChI InChI=1S/C24H27N7S/c1-16(2)20-21-22(30-29-20)23(28-24(27-21)31-11-13-32-14-12-31)26-15-17-6-8-18(9-7-17)19-5-3-4-10-25-19/h3-10,16H,11-15H2,1-2H3,(H,29,30)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154937 (CHEMBL518800) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154934 (CHEMBL3775606) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)S(C)(=O)=O Show InChI InChI=1S/C21H22N6O2S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)30(3,28)29)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50139171 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154920 (CHEMBL3774503) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(3.45,2.95,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-2.35,-5.41,;-3.68,-6.19,;-3.67,-7.73,;-2.33,-8.49,;-1,-7.71,;-1.01,-6.17,;-2.32,-10.03,;-3.65,-10.81,;-3.64,-12.35,;-2.3,-13.11,;-.97,-12.33,;-.98,-10.79,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-7.7,-.82,;-8.76,-1.45,;-7.71,.72,;-6.39,1.5,;-1.03,1.55,;.3,.77,)| Show InChI InChI=1S/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-20-12-10-19(27)11-13-20)29-15-17-6-8-18(9-7-17)21-5-3-4-14-28-21/h3-9,14,16,19-20H,10-13,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,20-	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154927 (CHEMBL3775681) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCSCC1 Show InChI InChI=1S/C24H27N7S/c1-16(2)20-21-22(30-29-20)23(28-24(27-21)31-11-13-32-14-12-31)26-15-17-6-8-18(9-7-17)19-5-3-4-10-25-19/h3-10,16H,11-15H2,1-2H3,(H,29,30)(H,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154922 (CHEMBL3774949) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCNCC1 Show InChI InChI=1S/C24H28N8/c1-16(2)20-21-22(31-30-20)23(29-24(28-21)32-13-11-25-12-14-32)27-15-17-6-8-18(9-7-17)19-5-3-4-10-26-19/h3-10,16,25H,11-15H2,1-2H3,(H,30,31)(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4 (Homo sapiens (Human))	BDBM50139171 (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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK4 (unknown origin)				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154919 (CHEMBL3775467) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C26H32N8O/c1-18(2)22-23-24(32-31-22)25(30-26(29-23)34-13-11-33(12-14-34)15-16-35)28-17-19-6-8-20(9-7-19)21-5-3-4-10-27-21/h3-10,18,35H,11-17H2,1-2H3,(H,31,32)(H,28,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50347389 (CHEMBL1801932) Show SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCN)nc12 Show InChI InChI=1S/C22H32N6/c1-17(2)19-16-26-28-21(25-15-18-10-6-5-7-11-18)14-20(27-22(19)28)24-13-9-4-3-8-12-23/h5-7,10-11,14,16-17,25H,3-4,8-9,12-13,15,23H2,1-2H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK7 (unknown origin)				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM7533 ((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	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154934 (CHEMBL3775606) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)S(C)(=O)=O Show InChI InChI=1S/C21H22N6O2S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)30(3,28)29)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50139171 (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154920 (CHEMBL3774503) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.26,wD:28.30,(3.45,2.95,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-2.35,-5.41,;-3.68,-6.19,;-3.67,-7.73,;-2.33,-8.49,;-1,-7.71,;-1.01,-6.17,;-2.32,-10.03,;-3.65,-10.81,;-3.64,-12.35,;-2.3,-13.11,;-.97,-12.33,;-.98,-10.79,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-7.7,-.82,;-8.76,-1.45,;-7.71,.72,;-6.39,1.5,;-1.03,1.55,;.3,.77,)| Show InChI InChI=1S/C26H32N8/c1-16(2)22-23-24(34-33-22)25(32-26(31-23)30-20-12-10-19(27)11-13-20)29-15-17-6-8-18(9-7-17)21-5-3-4-14-28-21/h3-9,14,16,19-20H,10-13,15,27H2,1-2H3,(H,33,34)(H2,29,30,31,32)/t19-,20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154936 (CHEMBL3774434) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)ncnc12 Show InChI InChI=1S/C20H20N6/c1-13(2)17-18-19(26-25-17)20(24-12-23-18)22-11-14-6-8-15(9-7-14)16-5-3-4-10-21-16/h3-10,12-13H,11H2,1-2H3,(H,25,26)(H,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154936 (CHEMBL3774434) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)ncnc12 Show InChI InChI=1S/C20H20N6/c1-13(2)17-18-19(26-25-17)20(24-12-23-18)22-11-14-6-8-15(9-7-14)16-5-3-4-10-21-16/h3-10,12-13H,11H2,1-2H3,(H,25,26)(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154937 (CHEMBL518800) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154935 (CHEMBL3775479) Show SMILES CSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C21H22N6S/c1-13(2)17-18-19(27-26-17)20(25-21(24-18)28-3)23-12-14-7-9-15(10-8-14)16-6-4-5-11-22-16/h4-11,13H,12H2,1-3H3,(H,26,27)(H,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50154932 (CHEMBL3774632) Show SMILES CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C23H27N7O/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-15(3)31)25-13-16-7-9-17(10-8-16)18-6-4-5-11-24-18/h4-11,14-15,31H,12-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50154919 (CHEMBL3775467) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(nc12)N1CCN(CCO)CC1 Show InChI InChI=1S/C26H32N8O/c1-18(2)22-23-24(32-31-22)25(30-26(29-23)34-13-11-33(12-14-34)15-16-35)28-17-19-6-8-20(9-7-19)21-5-3-4-10-27-21/h3-10,18,35H,11-17H2,1-2H3,(H,31,32)(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	422	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154921 (CHEMBL3775657) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCCN(C)C)nc12 Show InChI InChI=1S/C24H30N8/c1-16(2)20-21-22(31-30-20)23(29-24(28-21)26-13-14-32(3)4)27-15-17-8-10-18(11-9-17)19-7-5-6-12-25-19/h5-12,16H,13-15H2,1-4H3,(H,30,31)(H2,26,27,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	467	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50154932 (CHEMBL3774632) Show SMILES CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1 Show InChI InChI=1S/C23H27N7O/c1-14(2)19-20-21(30-29-19)22(28-23(27-20)26-12-15(3)31)25-13-16-7-9-17(10-8-16)18-6-4-5-11-24-18/h4-11,14-15,31H,12-13H2,1-3H3,(H,29,30)(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	777	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK1 (unknown origin)				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM6309 (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)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	892	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK9 (unknown origin)				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM7533 ((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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50154917 (CHEMBL3775861) Show SMILES CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(NCc3ccc(cc3)-c3ccccn3)nc12 Show InChI InChI=1S/C32H30N8/c1-21(2)28-29-30(40-39-28)31(35-19-22-9-13-24(14-10-22)26-7-3-5-17-33-26)38-32(37-29)36-20-23-11-15-25(16-12-23)27-8-4-6-18-34-27/h3-18,21H,19-20H2,1-2H3,(H,39,40)(H2,35,36,37,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University and Institute of Experimental Botany AS CR Curated by ChEMBL					Assay Description Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP				Eur J Med Chem 110: 291-301 (2016) Article DOI: 10.1016/j.ejmech.2016.01.011 BindingDB Entry DOI: 10.7270/Q2SQ927C
					More data for this Ligand-Target Pair

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