Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'kryštof' and Initial = 'v'   

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-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50437236 (CHEMBL2402946) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)| Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK9/Cyclin T1 (unknown origin) using (YSPTSPS)2KK peptide as substrate				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50437236 (CHEMBL2402946) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)| Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK5/p35 (unknown origin) using histone H1 as substrate				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437235 (CHEMBL2402947) Show SMILES NC1CCC(CC1)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C3CCCC3)c2n1 |(23.71,-19.02,;22.17,-19.03,;21.41,-20.37,;19.88,-20.39,;19.11,-19.06,;19.85,-17.72,;21.39,-17.71,;17.57,-19.08,;16.78,-17.75,;15.24,-17.76,;14.46,-16.43,;12.92,-16.44,;12.13,-15.11,;10.59,-15.13,;9.81,-13.8,;8.26,-13.83,;7.47,-12.51,;7.51,-15.16,;8.29,-16.48,;9.83,-16.47,;10.62,-17.79,;15.21,-15.08,;14.72,-13.62,;15.95,-12.71,;17.21,-13.59,;18.68,-13.1,;19.93,-13.99,;21.17,-13.06,;20.67,-11.6,;19.13,-11.62,;16.75,-15.07,;17.55,-16.4,)| Show InChI InChI=1S/C23H30ClN7O/c24-15-5-10-19(32)14(11-15)12-26-21-20-22(31(13-27-20)18-3-1-2-4-18)30-23(29-21)28-17-8-6-16(25)7-9-17/h5,10-11,13,16-18,32H,1-4,6-9,12,25H2,(H2,26,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50431286 (CHEMBL2349193) Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(N)CC3)nc12 |(21.22,-29.22,;22.26,-28.08,;23.76,-28.41,;21.78,-26.61,;22.69,-25.37,;21.78,-24.12,;20.31,-24.6,;18.98,-23.83,;18.96,-22.29,;20.3,-21.52,;20.29,-19.99,;21.61,-19.22,;21.59,-17.7,;22.92,-16.92,;20.27,-16.94,;18.94,-17.71,;18.95,-19.25,;17.63,-20.03,;17.65,-24.6,;17.65,-26.15,;16.3,-26.92,;16.3,-28.46,;14.96,-29.23,;14.95,-30.77,;16.29,-31.56,;16.28,-33.09,;17.63,-30.79,;17.64,-29.24,;18.98,-26.92,;20.31,-26.15,)| Show InChI InChI=1S/C21H28ClN7O/c1-12(2)29-11-25-18-19(24-10-13-9-14(22)3-8-17(13)30)27-21(28-20(18)29)26-16-6-4-15(23)5-7-16/h3,8-9,11-12,15-16,30H,4-7,10,23H2,1-2H3,(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437236 (CHEMBL2402946) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)| Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437241 (CHEMBL2403096) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2cccs2)c2ncn(C3CCCC3)c2n1 |(27.37,-48.83,;25.84,-48.84,;25.07,-50.18,;23.53,-50.19,;22.76,-48.86,;23.5,-47.52,;25.05,-47.51,;21.22,-48.87,;20.43,-47.54,;18.89,-47.56,;18.11,-46.23,;16.57,-46.24,;15.78,-44.91,;14.24,-44.93,;13.46,-43.6,;11.92,-43.63,;11.16,-44.96,;11.95,-46.28,;13.49,-46.27,;9.63,-44.99,;8.71,-43.76,;7.26,-44.25,;7.28,-45.79,;8.75,-46.24,;18.86,-44.88,;18.37,-43.42,;19.6,-42.51,;20.86,-43.39,;22.32,-42.9,;23.58,-43.79,;24.81,-42.86,;24.32,-41.4,;22.77,-41.43,;20.4,-44.87,;21.19,-46.2,)| Show InChI InChI=1S/C26H32N8S/c27-18-8-10-19(11-9-18)31-26-32-24(23-25(33-26)34(16-30-23)20-4-1-2-5-20)29-15-17-7-12-21(28-14-17)22-6-3-13-35-22/h3,6-7,12-14,16,18-20H,1-2,4-5,8-11,15,27H2,(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437243 (CHEMBL2403094) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccco2)c2ncn(C3CCCC3)c2n1 |(24.06,-37.61,;22.53,-37.62,;21.76,-38.97,;20.22,-38.98,;19.45,-37.64,;20.2,-36.3,;21.74,-36.29,;17.91,-37.65,;17.12,-36.33,;15.58,-36.34,;14.8,-35.01,;13.26,-35.03,;12.47,-33.7,;10.93,-33.71,;10.15,-32.39,;8.61,-32.41,;7.85,-33.75,;8.64,-35.06,;10.18,-35.05,;6.32,-33.77,;5.4,-32.54,;3.95,-33.03,;3.97,-34.57,;5.44,-35.02,;15.55,-33.67,;15.06,-32.21,;16.29,-31.29,;17.55,-32.18,;19.01,-31.68,;20.27,-32.58,;21.5,-31.65,;21.01,-30.18,;19.46,-30.21,;17.09,-33.65,;17.88,-34.98,)| Show InChI InChI=1S/C26H32N8O/c27-18-8-10-19(11-9-18)31-26-32-24(23-25(33-26)34(16-30-23)20-4-1-2-5-20)29-15-17-7-12-21(28-14-17)22-6-3-13-35-22/h3,6-7,12-14,16,18-20H,1-2,4-5,8-11,15,27H2,(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM11460 (2,6,9-trisubstituted adenine derivative | 2-N-(4-a...) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)| Show InChI InChI=1S/C23H31N7/c24-17-10-12-18(13-11-17)27-23-28-21(25-14-16-6-2-1-3-7-16)20-22(29-23)30(15-26-20)19-8-4-5-9-19/h1-3,6-7,15,17-19H,4-5,8-14,24H2,(H2,25,27,28,29)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437255 (CHEMBL2403088) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-n2cccn2)c2ncn(C3CCCC3)c2n1 |(27.02,-9.73,;25.48,-9.74,;24.71,-11.08,;23.18,-11.09,;22.41,-9.75,;23.15,-8.41,;24.7,-8.4,;20.86,-9.77,;20.07,-8.44,;18.53,-8.45,;17.76,-7.12,;16.22,-7.14,;15.43,-5.81,;13.88,-5.82,;13.13,-7.16,;11.59,-7.18,;10.81,-5.86,;11.56,-4.53,;13.1,-4.5,;9.27,-5.89,;8.36,-4.65,;6.9,-5.15,;6.92,-6.68,;8.39,-7.13,;18.5,-5.78,;18.01,-4.32,;19.24,-3.41,;20.5,-4.29,;21.97,-3.79,;23.22,-4.69,;24.46,-3.76,;23.96,-2.3,;22.42,-2.32,;20.04,-5.76,;20.84,-7.09,)| Show InChI InChI=1S/C26H33N9/c27-19-8-10-20(11-9-19)31-26-32-24(23-25(33-26)34(17-29-23)21-4-1-2-5-21)28-16-18-6-12-22(13-7-18)35-15-3-14-30-35/h3,6-7,12-15,17,19-21H,1-2,4-5,8-11,16,27H2,(H2,28,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437242 (CHEMBL2403095) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccoc2)c2ncn(C3CCCC3)c2n1 |(47.14,-38.08,;45.61,-38.09,;44.84,-39.43,;43.3,-39.44,;42.53,-38.1,;43.28,-36.76,;44.82,-36.76,;40.99,-38.12,;40.2,-36.79,;38.66,-36.8,;37.89,-35.47,;36.34,-35.49,;35.55,-34.16,;34.01,-34.18,;33.23,-32.85,;31.69,-32.88,;30.94,-34.21,;31.72,-35.53,;33.26,-35.52,;29.4,-34.24,;28.49,-33.01,;27.03,-33.5,;27.05,-35.04,;28.52,-35.49,;38.63,-34.13,;38.14,-32.67,;39.37,-31.76,;40.63,-32.64,;42.09,-32.15,;43.35,-33.04,;44.59,-32.11,;44.09,-30.65,;42.54,-30.68,;40.17,-34.11,;40.96,-35.44,)| Show InChI InChI=1S/C26H32N8O/c27-19-6-8-20(9-7-19)31-26-32-24(23-25(33-26)34(16-30-23)21-3-1-2-4-21)29-14-17-5-10-22(28-13-17)18-11-12-35-15-18/h5,10-13,15-16,19-21H,1-4,6-9,14,27H2,(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50431283 (CHEMBL2347577) Show SMILES CC[C@@H](Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r| Show InChI InChI=1S/C20H27FN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50431293 (CHEMBL2347574) Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NCC(C)(C)O)nc12 Show InChI InChI=1S/C19H25ClN6O2/c1-11(2)26-10-23-15-16(21-8-12-7-13(20)5-6-14(12)27)24-18(25-17(15)26)22-9-19(3,4)28/h5-7,10-11,27-28H,8-9H2,1-4H3,(H2,21,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50431284 (CHEMBL2347575) Show SMILES CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r| Show InChI InChI=1S/C20H27ClN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437244 (CHEMBL2403093) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2cccc(F)c2)c2ncn(C3CCCC3)c2n1 |(50.46,-26.34,;48.93,-26.35,;48.16,-27.69,;46.62,-27.7,;45.85,-26.37,;46.59,-25.03,;48.14,-25.02,;44.31,-26.38,;43.52,-25.05,;41.98,-25.07,;41.2,-23.74,;39.66,-23.75,;38.87,-22.42,;37.33,-22.44,;36.55,-21.11,;35,-21.14,;34.25,-22.47,;35.03,-23.79,;36.57,-23.78,;32.72,-22.49,;31.93,-21.17,;30.4,-21.18,;29.65,-22.53,;30.44,-23.85,;29.69,-25.19,;31.97,-23.83,;41.94,-22.39,;41.46,-20.93,;42.69,-20.02,;43.95,-20.9,;45.41,-20.41,;46.66,-21.3,;47.9,-20.37,;47.4,-18.91,;45.86,-18.94,;43.49,-22.37,;44.28,-23.7,)| Show InChI InChI=1S/C28H33FN8/c29-20-5-3-4-19(14-20)24-13-8-18(15-31-24)16-32-26-25-27(37(17-33-25)23-6-1-2-7-23)36-28(35-26)34-22-11-9-21(30)10-12-22/h3-5,8,13-15,17,21-23H,1-2,6-7,9-12,16,30H2,(H2,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437247 (CHEMBL2402949) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C3CCCC3)c2n1 |r| Show InChI InChI=1S/C26H31N7O/c1-2-20(16-34)30-26-31-24(23-25(32-26)33(17-29-23)21-7-3-4-8-21)28-15-18-10-12-19(13-11-18)22-9-5-6-14-27-22/h5-6,9-14,17,20-21,34H,2-4,7-8,15-16H2,1H3,(H2,28,30,31,32)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437234 (CHEMBL2402948) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccccc2N)c2ncn(C3CCCC3)c2n1 |(44.48,-37.69,;42.94,-37.7,;42.18,-39.04,;40.65,-39.05,;39.88,-37.72,;40.62,-36.38,;42.16,-36.37,;38.34,-37.74,;37.55,-36.41,;36.01,-36.42,;35.23,-35.09,;33.69,-35.11,;32.9,-33.78,;31.35,-33.79,;30.57,-32.46,;29.03,-32.49,;28.27,-33.83,;29.06,-35.15,;30.6,-35.13,;31.38,-36.46,;35.98,-33.75,;35.49,-32.29,;36.72,-31.37,;37.98,-32.26,;39.45,-31.76,;40.7,-32.65,;41.94,-31.72,;41.44,-30.26,;39.9,-30.29,;37.52,-33.73,;38.32,-35.06,)| Show InChI InChI=1S/C23H32N8/c24-16-9-11-17(12-10-16)28-23-29-21(26-13-15-5-1-4-8-19(15)25)20-22(30-23)31(14-27-20)18-6-2-3-7-18/h1,4-5,8,14,16-18H,2-3,6-7,9-13,24-25H2,(H2,26,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50431284 (CHEMBL2347575) Show SMILES CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r| Show InChI InChI=1S/C20H27ClN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/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	97	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437246 (CHEMBL2403091) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2N)c2ncn(C3CCCC3)c2n1 |(48.32,-13.22,;46.78,-13.23,;46.01,-14.57,;44.48,-14.58,;43.7,-13.24,;44.45,-11.9,;46,-11.89,;42.16,-13.26,;41.37,-11.93,;39.83,-11.94,;39.06,-10.61,;37.51,-10.63,;36.72,-9.3,;35.18,-9.31,;34.4,-7.99,;32.86,-8.02,;32.1,-9.35,;32.89,-10.67,;34.43,-10.65,;30.57,-9.37,;29.79,-8.04,;28.26,-8.06,;27.5,-9.4,;28.29,-10.73,;29.83,-10.7,;30.61,-12.02,;39.8,-9.27,;39.31,-7.81,;40.54,-6.9,;41.8,-7.78,;43.26,-7.28,;44.52,-8.18,;45.76,-7.25,;45.26,-5.79,;43.71,-5.81,;41.34,-9.25,;42.14,-10.58,)| Show InChI InChI=1S/C28H35N9/c29-19-10-12-20(13-11-19)34-28-35-26(25-27(36-28)37(17-33-25)21-5-1-2-6-21)32-16-18-9-14-24(31-15-18)22-7-3-4-8-23(22)30/h3-4,7-9,14-15,17,19-21H,1-2,5-6,10-13,16,29-30H2,(H2,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50431283 (CHEMBL2347577) Show SMILES CC[C@@H](Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r| Show InChI InChI=1S/C20H27FN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50431282 (CHEMBL2347578) Show SMILES CC[C@H](CO)Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H25FN6O2/c1-4-14(9-27)23-19-24-17(16-18(25-19)26(10-22-16)11(2)3)21-8-12-7-13(20)5-6-15(12)28/h5-7,10-11,14,27-28H,4,8-9H2,1-3H3,(H2,21,23,24,25)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437245 (CHEMBL2403092) Show SMILES COc1ccccc1-c1ccc(CNc2nc(NC3CCC(N)CC3)nc3n(cnc23)C2CCCC2)cn1 |(6.55,-25.57,;7.3,-24.23,;6.51,-22.91,;4.98,-22.93,;4.18,-21.61,;4.94,-20.27,;6.47,-20.25,;7.25,-21.58,;8.79,-21.56,;9.54,-20.23,;11.08,-20.2,;11.86,-21.52,;13.41,-21.51,;14.2,-22.84,;15.74,-22.82,;16.51,-24.15,;18.06,-24.14,;18.85,-25.47,;20.39,-25.45,;21.16,-26.79,;22.7,-26.78,;23.47,-25.44,;25,-25.43,;22.68,-24.1,;21.13,-24.11,;18.82,-22.79,;18.02,-21.46,;18.49,-19.99,;17.22,-19.1,;15.99,-20.02,;16.48,-21.48,;19.95,-19.49,;21.2,-20.39,;22.44,-19.46,;21.94,-17.99,;20.4,-18.02,;11.11,-22.86,;9.57,-22.88,)| Show InChI InChI=1S/C29H36N8O/c1-38-25-9-5-4-8-23(25)24-15-10-19(16-31-24)17-32-27-26-28(37(18-33-26)22-6-2-3-7-22)36-29(35-27)34-21-13-11-20(30)12-14-21/h4-5,8-10,15-16,18,20-22H,2-3,6-7,11-14,17,30H2,1H3,(H2,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437253 (CHEMBL2403086) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2cccs2)c2ncn(C3CCCC3)c2n1 |(26.1,-60.67,;24.57,-60.68,;23.8,-62.02,;22.26,-62.03,;21.49,-60.69,;22.23,-59.35,;23.78,-59.34,;19.95,-60.71,;19.16,-59.38,;17.62,-59.39,;16.84,-58.06,;15.3,-58.08,;14.51,-56.75,;12.97,-56.76,;12.21,-58.1,;10.67,-58.12,;9.89,-56.8,;10.64,-55.47,;12.19,-55.44,;8.35,-56.83,;7.44,-55.59,;5.98,-56.09,;6,-57.62,;7.47,-58.08,;17.58,-56.72,;17.1,-55.26,;18.33,-54.34,;19.59,-55.23,;21.05,-54.73,;22.3,-55.63,;23.54,-54.7,;23.04,-53.23,;21.5,-53.26,;19.13,-56.7,;19.92,-58.03,)| Show InChI InChI=1S/C27H33N7S/c28-20-11-13-21(14-12-20)31-27-32-25(24-26(33-27)34(17-30-24)22-4-1-2-5-22)29-16-18-7-9-19(10-8-18)23-6-3-15-35-23/h3,6-10,15,17,20-22H,1-2,4-5,11-14,16,28H2,(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50431286 (CHEMBL2349193) Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(N)CC3)nc12 |(21.22,-29.22,;22.26,-28.08,;23.76,-28.41,;21.78,-26.61,;22.69,-25.37,;21.78,-24.12,;20.31,-24.6,;18.98,-23.83,;18.96,-22.29,;20.3,-21.52,;20.29,-19.99,;21.61,-19.22,;21.59,-17.7,;22.92,-16.92,;20.27,-16.94,;18.94,-17.71,;18.95,-19.25,;17.63,-20.03,;17.65,-24.6,;17.65,-26.15,;16.3,-26.92,;16.3,-28.46,;14.96,-29.23,;14.95,-30.77,;16.29,-31.56,;16.28,-33.09,;17.63,-30.79,;17.64,-29.24,;18.98,-26.92,;20.31,-26.15,)| Show InChI InChI=1S/C21H28ClN7O/c1-12(2)29-11-25-18-19(24-10-13-9-14(22)3-8-17(13)30)27-21(28-20(18)29)26-16-6-4-15(23)5-7-16/h3,8-9,11-12,15-16,30H,4-7,10,23H2,1-2H3,(H2,24,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437251 (CHEMBL2403084) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccco2)c2ncn(C3CCCC3)c2n1 |(22.79,-49.45,;21.26,-49.45,;20.49,-50.8,;18.95,-50.81,;18.18,-49.47,;18.92,-48.13,;20.47,-48.12,;16.63,-49.48,;15.85,-48.16,;14.3,-48.17,;13.53,-46.84,;11.99,-46.86,;11.2,-45.53,;9.65,-45.54,;8.9,-46.88,;7.36,-46.89,;6.58,-45.58,;7.33,-44.24,;8.87,-44.21,;5.04,-45.6,;4.13,-44.37,;2.67,-44.86,;2.69,-46.4,;4.16,-46.85,;14.27,-45.5,;13.78,-44.04,;15.01,-43.12,;16.28,-44,;17.74,-43.51,;18.99,-44.4,;20.23,-43.48,;19.73,-42.01,;18.19,-42.04,;15.81,-45.48,;16.61,-46.81,)| Show InChI InChI=1S/C27H33N7O/c28-20-11-13-21(14-12-20)31-27-32-25(24-26(33-27)34(17-30-24)22-4-1-2-5-22)29-16-18-7-9-19(10-8-18)23-6-3-15-35-23/h3,6-10,15,17,20-22H,1-2,4-5,11-14,16,28H2,(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	148	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50431285 (CHEMBL2349194) Show SMILES CC[C@H](CO)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H25ClN6O2/c1-4-14(9-27)23-19-24-17(16-18(25-19)26(10-22-16)11(2)3)21-8-12-7-13(20)5-6-15(12)28/h5-7,10-11,14,27-28H,4,8-9H2,1-3H3,(H2,21,23,24,25)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437248 (CHEMBL2402953) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2N)c2ncn(C3CCCC3)c2n1 |(47.04,-25.04,;45.5,-25.04,;44.73,-26.39,;43.2,-26.4,;42.42,-25.06,;43.17,-23.72,;44.72,-23.71,;40.88,-25.08,;40.09,-23.75,;38.55,-23.76,;37.78,-22.43,;36.23,-22.45,;35.44,-21.12,;33.9,-21.13,;33.15,-22.47,;31.61,-22.49,;30.82,-21.17,;31.58,-19.83,;33.12,-19.81,;29.29,-21.18,;28.51,-19.86,;26.98,-19.88,;26.22,-21.22,;27.01,-22.54,;28.55,-22.52,;29.33,-23.84,;38.52,-21.09,;38.03,-19.63,;39.26,-18.71,;40.52,-19.6,;41.99,-19.1,;43.24,-20,;44.48,-19.07,;43.98,-17.6,;42.43,-17.63,;40.06,-21.07,;40.86,-22.4,)| Show InChI InChI=1S/C29H36N8/c30-21-13-15-22(16-14-21)34-29-35-27(26-28(36-29)37(18-33-26)23-5-1-2-6-23)32-17-19-9-11-20(12-10-19)24-7-3-4-8-25(24)31/h3-4,7-12,18,21-23H,1-2,5-6,13-17,30-31H2,(H2,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50431286 (CHEMBL2349193) Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(N)CC3)nc12 |(21.22,-29.22,;22.26,-28.08,;23.76,-28.41,;21.78,-26.61,;22.69,-25.37,;21.78,-24.12,;20.31,-24.6,;18.98,-23.83,;18.96,-22.29,;20.3,-21.52,;20.29,-19.99,;21.61,-19.22,;21.59,-17.7,;22.92,-16.92,;20.27,-16.94,;18.94,-17.71,;18.95,-19.25,;17.63,-20.03,;17.65,-24.6,;17.65,-26.15,;16.3,-26.92,;16.3,-28.46,;14.96,-29.23,;14.95,-30.77,;16.29,-31.56,;16.28,-33.09,;17.63,-30.79,;17.64,-29.24,;18.98,-26.92,;20.31,-26.15,)| Show InChI InChI=1S/C21H28ClN7O/c1-12(2)29-11-25-18-19(24-10-13-9-14(22)3-8-17(13)30)27-21(28-20(18)29)26-16-6-4-15(23)5-7-16/h3,8-9,11-12,15-16,30H,4-7,10,23H2,1-2H3,(H2,24,26,27,28)	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	160	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50431284 (CHEMBL2347575) Show SMILES CC[C@@H](Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r| Show InChI InChI=1S/C20H27ClN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Curated by ChEMBL					Assay Description Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437240 (CHEMBL2403097) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccsc2)c2ncn(C3CCCC3)c2n1 |(53.08,-48.13,;51.54,-48.14,;50.77,-49.48,;49.24,-49.49,;48.47,-48.15,;49.21,-46.81,;50.76,-46.81,;46.92,-48.17,;46.14,-46.84,;44.59,-46.86,;43.82,-45.52,;42.28,-45.54,;41.49,-44.21,;39.94,-44.23,;39.16,-42.9,;37.62,-42.93,;36.87,-44.26,;37.65,-45.58,;39.19,-45.57,;35.33,-44.29,;34.42,-43.06,;32.96,-43.55,;32.98,-45.09,;34.45,-45.54,;44.56,-44.18,;44.07,-42.72,;45.3,-41.81,;46.56,-42.69,;48.03,-42.2,;49.28,-43.09,;50.52,-42.16,;50.02,-40.7,;48.48,-40.73,;46.1,-44.16,;46.9,-45.49,)| Show InChI InChI=1S/C26H32N8S/c27-19-6-8-20(9-7-19)31-26-32-24(23-25(33-26)34(16-30-23)21-3-1-2-4-21)29-14-17-5-10-22(28-13-17)18-11-12-35-15-18/h5,10-13,15-16,19-21H,1-4,6-9,14,27H2,(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50431283 (CHEMBL2347577) Show SMILES CC[C@@H](Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1)C(C)O |r| Show InChI InChI=1S/C20H27FN6O2/c1-5-15(12(4)28)24-20-25-18(17-19(26-20)27(10-23-17)11(2)3)22-9-13-8-14(21)6-7-16(13)29/h6-8,10-12,15,28-29H,5,9H2,1-4H3,(H2,22,24,25,26)/t12?,15-/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	180	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437254 (CHEMBL2403087) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccsc2)c2ncn(C3CCCC3)c2n1 |(51.81,-59.96,;50.28,-59.97,;49.51,-61.31,;47.97,-61.32,;47.2,-59.99,;47.94,-58.65,;49.49,-58.64,;45.66,-60,;44.87,-58.67,;43.33,-58.69,;42.55,-57.36,;41.01,-57.37,;40.22,-56.04,;38.67,-56.06,;37.92,-57.4,;36.38,-57.41,;35.6,-56.09,;36.35,-54.76,;37.9,-54.73,;34.06,-56.12,;33.15,-54.89,;31.69,-55.38,;31.71,-56.92,;33.18,-57.37,;43.29,-56.01,;42.81,-54.55,;44.04,-53.64,;45.3,-54.52,;46.76,-54.03,;48.01,-54.92,;49.25,-53.99,;48.75,-52.53,;47.21,-52.56,;44.84,-55.99,;45.63,-57.33,)| Show InChI InChI=1S/C27H33N7S/c28-21-9-11-22(12-10-21)31-27-32-25(24-26(33-27)34(17-30-24)23-3-1-2-4-23)29-15-18-5-7-19(8-6-18)20-13-14-35-16-20/h5-8,13-14,16-17,21-23H,1-4,9-12,15,28H2,(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437257 (CHEMBL2403090) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2)c2ncn(C3CCCC3)c2n1 |(24.6,-12.07,;23.07,-12.08,;22.3,-13.42,;20.76,-13.43,;19.99,-12.1,;20.73,-10.75,;22.28,-10.75,;18.45,-12.11,;17.66,-10.78,;16.12,-10.8,;15.34,-9.46,;13.8,-9.48,;13.01,-8.15,;11.47,-8.17,;10.69,-6.84,;9.14,-6.87,;8.39,-8.2,;9.18,-9.52,;10.72,-9.51,;6.86,-8.22,;6.08,-6.9,;4.54,-6.91,;3.79,-8.25,;4.58,-9.58,;6.11,-9.55,;16.09,-8.12,;15.6,-6.66,;16.83,-5.75,;18.09,-6.63,;19.55,-6.14,;20.81,-7.03,;22.04,-6.1,;21.55,-4.64,;20,-4.67,;17.63,-8.1,;18.42,-9.43,)| Show InChI InChI=1S/C28H34N8/c29-21-11-13-22(14-12-21)33-28-34-26(25-27(35-28)36(18-32-25)23-8-4-5-9-23)31-17-19-10-15-24(30-16-19)20-6-2-1-3-7-20/h1-3,6-7,10,15-16,18,21-23H,4-5,8-9,11-14,17,29H2,(H2,31,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437252 (CHEMBL2403085) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccoc2)c2ncn(C3CCCC3)c2n1 |(45.88,-49.91,;44.34,-49.92,;43.57,-51.26,;42.04,-51.27,;41.27,-49.94,;42.01,-48.59,;43.56,-48.59,;39.72,-49.95,;38.93,-48.62,;37.39,-48.64,;36.62,-47.3,;35.07,-47.32,;34.29,-45.99,;32.74,-46.01,;31.99,-47.35,;30.45,-47.36,;29.67,-46.04,;30.42,-44.71,;31.96,-44.68,;28.13,-46.07,;27.21,-44.84,;25.76,-45.33,;25.78,-46.87,;27.25,-47.32,;37.36,-45.96,;36.87,-44.5,;38.1,-43.59,;39.36,-44.47,;40.83,-43.98,;42.08,-44.87,;43.32,-43.94,;42.82,-42.48,;41.28,-42.51,;38.9,-45.94,;39.7,-47.27,)| Show InChI InChI=1S/C27H33N7O/c28-21-9-11-22(12-10-21)31-27-32-25(24-26(33-27)34(17-30-24)23-3-1-2-4-23)29-15-18-5-7-19(8-6-18)20-13-14-35-16-20/h5-8,13-14,16-17,21-23H,1-4,9-12,15,28H2,(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	202	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437239 (CHEMBL2403098) Show SMILES OC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccco2)c2ncn(C3CCCC3)c2n1 |(25.33,-11.47,;23.8,-11.48,;23.03,-12.82,;21.49,-12.83,;20.72,-11.49,;21.47,-10.15,;23.01,-10.15,;19.18,-11.51,;18.39,-10.18,;16.85,-10.2,;16.08,-8.86,;14.53,-8.88,;13.74,-7.55,;12.2,-7.57,;11.42,-6.24,;9.88,-6.27,;9.13,-7.6,;9.91,-8.92,;11.45,-8.91,;7.59,-7.63,;6.68,-6.4,;5.22,-6.89,;5.24,-8.43,;6.71,-8.88,;16.82,-7.52,;16.33,-6.06,;17.56,-5.15,;18.82,-6.03,;20.28,-5.54,;21.54,-6.43,;22.78,-5.5,;22.28,-4.04,;20.73,-4.07,;18.36,-7.5,;19.15,-8.83,)| Show InChI InChI=1S/C26H31N7O2/c34-20-10-8-18(9-11-20)30-26-31-24(23-25(32-26)33(16-29-23)19-4-1-2-5-19)28-15-17-7-12-21(27-14-17)22-6-3-13-35-22/h3,6-7,12-14,16,18-20,34H,1-2,4-5,8-11,15H2,(H2,28,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50378211 (CHEMBL576748) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-2.35,-19.99,;-2.35,-18.45,;-1.02,-17.67,;-1.02,-16.13,;-2.36,-15.36,;-3.69,-16.14,;-3.68,-17.67,;-2.36,-13.82,;-1.03,-13.05,;-1.03,-11.51,;.29,-10.74,;.29,-9.2,;-1.05,-8.43,;-2.38,-9.21,;-2.37,-10.76,;-3.71,-11.53,;-5.04,-10.76,;-5.04,-9.22,;-3.71,-8.45,;-6.38,-11.53,;-7.71,-10.76,;-9.04,-11.52,;-9.04,-13.07,;-7.7,-13.84,;-6.37,-13.06,;1.63,-11.49,;3.09,-11.01,;4,-12.24,;3.11,-13.49,;3.9,-14.81,;3.31,-16.22,;4.47,-17.23,;5.79,-16.44,;5.44,-14.94,;1.65,-13.03,;.31,-13.81,)| Show InChI InChI=1S/C29H35N7/c30-23-14-16-24(17-15-23)33-29-34-27(26-28(35-29)36(19-32-26)25-8-4-5-9-25)31-18-20-10-12-22(13-11-20)21-6-2-1-3-7-21/h1-3,6-7,10-13,19,23-25H,4-5,8-9,14-18,30H2,(H2,31,33,34,35)/t23-,24-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	232	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50431282 (CHEMBL2347578) Show SMILES CC[C@H](CO)Nc1nc(NCc2cc(F)ccc2O)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H25FN6O2/c1-4-14(9-27)23-19-24-17(16-18(25-19)26(10-22-16)11(2)3)21-8-12-7-13(20)5-6-15(12)28/h5-7,10-11,14,27-28H,4,8-9H2,1-3H3,(H2,21,23,24,25)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 Curated by ChEMBL					Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50366800 (OLOMOUCINE II) Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50431285 (CHEMBL2349194) Show SMILES CC[C@H](CO)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C(C)C)c2n1 |r| Show InChI InChI=1S/C19H25ClN6O2/c1-4-14(9-27)23-19-24-17(16-18(25-19)26(10-22-16)11(2)3)21-8-12-7-13(20)5-6-15(12)28/h5-7,10-11,14,27-28H,4,8-9H2,1-3H3,(H2,21,23,24,25)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	285	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK9/CyclinT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50431290 (CHEMBL2347582) Show SMILES CC(C)[C@H](Nc1nc(NCc2ccccc2N)c2ncn(C(C)C)c2n1)C(C)(C)O |r| Show InChI InChI=1S/C22H33N7O/c1-13(2)18(22(5,6)30)26-21-27-19(24-11-15-9-7-8-10-16(15)23)17-20(28-21)29(12-25-17)14(3)4/h7-10,12-14,18,30H,11,23H2,1-6H3,(H2,24,26,27,28)/t18-/m0/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	290	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437249 (CHEMBL2402954) Show SMILES COc1ccccc1-c1ccc(CNc2nc(NC3CCC(N)CC3)nc3n(cnc23)C2CCCC2)cc1 |(5.27,-37.39,;6.02,-36.05,;5.23,-34.73,;3.7,-34.75,;2.9,-33.43,;3.66,-32.09,;5.19,-32.07,;5.98,-33.4,;7.51,-33.38,;8.29,-34.7,;9.83,-34.68,;10.58,-33.34,;12.13,-33.33,;12.92,-34.66,;14.46,-34.64,;15.24,-35.97,;16.78,-35.96,;17.57,-37.29,;19.11,-37.27,;19.88,-38.61,;21.42,-38.6,;22.19,-37.26,;23.72,-37.25,;21.4,-35.92,;19.85,-35.93,;17.54,-34.61,;16.75,-33.28,;17.21,-31.81,;15.94,-30.92,;14.71,-31.84,;15.2,-33.3,;18.67,-31.31,;19.92,-32.21,;21.16,-31.28,;20.66,-29.81,;19.12,-29.84,;9.81,-32.02,;8.26,-32.04,)| Show InChI InChI=1S/C30H37N7O/c1-38-26-9-5-4-8-25(26)21-12-10-20(11-13-21)18-32-28-27-29(37(19-33-27)24-6-2-3-7-24)36-30(35-28)34-23-16-14-22(31)15-17-23/h4-5,8-13,19,22-24H,2-3,6-7,14-18,31H2,1H3,(H2,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	301	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50437236 (CHEMBL2402946) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)| Show InChI InChI=1S/C28H34N8O/c29-19-10-12-20(13-11-19)33-28-34-26(25-27(35-28)36(17-32-25)21-5-1-2-6-21)31-16-18-9-14-23(30-15-18)22-7-3-4-8-24(22)37/h3-4,7-9,14-15,17,19-21,37H,1-2,5-6,10-13,16,29H2,(H2,31,33,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	306	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK7/Cyclin-H/MAT 1 (unknown origin) using (YSPTSPS)2KK peptide as substrate				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437250 (CHEMBL2403083) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2cccc(F)c2)c2ncn(C3CCCC3)c2n1 |(49.18,-38.16,;47.65,-38.17,;46.88,-39.51,;45.34,-39.52,;44.57,-38.19,;45.31,-36.85,;46.86,-36.84,;43.03,-38.2,;42.24,-36.87,;40.7,-36.89,;39.92,-35.55,;38.38,-35.57,;37.59,-34.24,;36.05,-34.26,;35.3,-35.6,;33.76,-35.61,;32.97,-34.29,;33.72,-32.96,;35.27,-32.93,;31.44,-34.31,;30.65,-32.99,;29.12,-33,;28.37,-34.34,;29.16,-35.67,;28.41,-37.01,;30.69,-35.64,;40.67,-34.21,;40.18,-32.75,;41.41,-31.84,;42.67,-32.72,;44.13,-32.23,;45.39,-33.12,;46.62,-32.19,;46.12,-30.73,;44.58,-30.76,;42.21,-34.19,;43,-35.52,)| Show InChI InChI=1S/C29H34FN7/c30-22-5-3-4-21(16-22)20-10-8-19(9-11-20)17-32-27-26-28(37(18-33-26)25-6-1-2-7-25)36-29(35-27)34-24-14-12-23(31)13-15-24/h3-5,8-11,16,18,23-25H,1-2,6-7,12-15,17,31H2,(H2,32,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50431293 (CHEMBL2347574) Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NCC(C)(C)O)nc12 Show InChI InChI=1S/C19H25ClN6O2/c1-11(2)26-10-23-15-16(21-8-12-7-13(20)5-6-14(12)27)24-18(25-17(15)26)22-9-19(3,4)28/h5-7,10-11,27-28H,8-9H2,1-4H3,(H2,21,22,24,25)	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	435	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (Homo sapiens (Human))	BDBM50431287 (CHEMBL2349192) Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(O)CC3)nc12 |(10.04,-28.94,;11.08,-27.8,;12.58,-28.12,;10.6,-26.33,;11.51,-25.08,;10.6,-23.83,;9.13,-24.32,;7.79,-23.55,;7.78,-22.01,;9.12,-21.24,;9.11,-19.71,;10.43,-18.94,;10.41,-17.41,;11.74,-16.64,;9.08,-16.65,;7.76,-17.42,;7.77,-18.96,;6.45,-19.75,;6.47,-24.32,;6.47,-25.86,;5.12,-26.63,;5.12,-28.18,;3.78,-28.95,;3.77,-30.49,;5.11,-31.27,;5.1,-32.81,;6.45,-30.5,;6.46,-28.95,;7.79,-26.63,;9.13,-25.86,)| Show InChI InChI=1S/C21H27ClN6O2/c1-12(2)28-11-24-18-19(23-10-13-9-14(22)3-8-17(13)30)26-21(27-20(18)28)25-15-4-6-16(29)7-5-15/h3,8-9,11-12,15-16,29-30H,4-7,10H2,1-2H3,(H2,23,25,26,27)	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	540	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50431287 (CHEMBL2349192) Show SMILES CC(C)n1cnc2c(NCc3cc(Cl)ccc3O)nc(NC3CCC(O)CC3)nc12 |(10.04,-28.94,;11.08,-27.8,;12.58,-28.12,;10.6,-26.33,;11.51,-25.08,;10.6,-23.83,;9.13,-24.32,;7.79,-23.55,;7.78,-22.01,;9.12,-21.24,;9.11,-19.71,;10.43,-18.94,;10.41,-17.41,;11.74,-16.64,;9.08,-16.65,;7.76,-17.42,;7.77,-18.96,;6.45,-19.75,;6.47,-24.32,;6.47,-25.86,;5.12,-26.63,;5.12,-28.18,;3.78,-28.95,;3.77,-30.49,;5.11,-31.27,;5.1,-32.81,;6.45,-30.5,;6.46,-28.95,;7.79,-26.63,;9.13,-25.86,)| Show InChI InChI=1S/C21H27ClN6O2/c1-12(2)28-11-24-18-19(23-10-13-9-14(22)3-8-17(13)30)26-21(27-20(18)28)25-15-4-6-16(29)7-5-15/h3,8-9,11-12,15-16,29-30H,4-7,10H2,1-2H3,(H2,23,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437238 (CHEMBL2403099) Show SMILES CC(C)(O)CNc1nc(NCc2ccc(nc2)-c2ccco2)c2ncn(C3CCCC3)c2n1 Show InChI InChI=1S/C24H29N7O2/c1-24(2,32)14-27-23-29-21(20-22(30-23)31(15-28-20)17-6-3-4-7-17)26-13-16-9-10-18(25-12-16)19-8-5-11-33-19/h5,8-12,15,17,32H,3-4,6-7,13-14H2,1-2H3,(H2,26,27,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	555	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50431290 (CHEMBL2347582) Show SMILES CC(C)[C@H](Nc1nc(NCc2ccccc2N)c2ncn(C(C)C)c2n1)C(C)(C)O |r| Show InChI InChI=1S/C22H33N7O/c1-13(2)18(22(5,6)30)26-21-27-19(24-11-15-9-7-8-10-16(15)23)17-20(28-21)29(12-25-17)14(3)4/h7-10,12-14,18,30H,11,23H2,1-6H3,(H2,24,26,27,28)/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	675	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50431292 (CHEMBL2347580) Show SMILES CC(C)n1cnc2c(NCc3ccccc3N)nc(NCC(C)(C)O)nc12 Show InChI InChI=1S/C19H27N7O/c1-12(2)26-11-23-15-16(21-9-13-7-5-6-8-14(13)20)24-18(25-17(15)26)22-10-19(3,4)27/h5-8,11-12,27H,9-10,20H2,1-4H3,(H2,21,22,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK5/P35 (unknown origin) using histone H1 as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50437237 (CHEMBL2402945) Show SMILES NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(24.84,-23.83,;23.3,-23.84,;22.54,-25.18,;21.01,-25.19,;20.24,-23.86,;20.98,-22.52,;22.52,-22.51,;18.7,-23.88,;17.91,-22.55,;16.37,-22.56,;15.59,-21.23,;14.04,-21.24,;13.25,-19.91,;11.71,-19.93,;10.95,-21.27,;9.41,-21.28,;8.62,-19.96,;9.38,-18.63,;10.93,-18.6,;7.09,-19.98,;6.3,-18.66,;4.77,-18.67,;4.01,-20.02,;4.81,-21.34,;6.34,-21.32,;7.13,-22.64,;16.33,-19.88,;15.84,-18.42,;17.08,-17.51,;18.34,-18.39,;19.81,-17.89,;21.06,-18.79,;22.3,-17.86,;21.8,-16.39,;20.26,-16.42,;17.88,-19.86,;18.67,-21.2,)| Show InChI InChI=1S/C29H35N7O/c30-21-13-15-22(16-14-21)33-29-34-27(26-28(35-29)36(18-32-26)23-5-1-2-6-23)31-17-19-9-11-20(12-10-19)24-7-3-4-8-25(24)37/h3-4,7-12,18,21-23,37H,1-2,5-6,13-17,30H2,(H2,31,33,34,35)	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 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK1				J Med Chem 56: 6234-47 (2013) Article DOI: 10.1021/jm4006884 BindingDB Entry DOI: 10.7270/Q2FX7BVZ
					More data for this Ligand-Target Pair
Cyclin-H/Cyclin-dependent kinase 7 (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	Article PubMed	n/a	n/a	793	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CDK7/CyclinH/MAT1 (unknown origin) using (YSPTSPS)2KK as substrate				Eur J Med Chem 61: 61-72 (2013) Article DOI: 10.1016/j.ejmech.2012.06.036 BindingDB Entry DOI: 10.7270/Q2QC04W7
					More data for this Ligand-Target Pair

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