Compile Data Set for Download or QSAR

Found 79 hits of ic50 for UniProtKB: P06493   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin A (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured...				J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CDK1/Cyclin-A using Histone H1 as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmc.2018.02.022 BindingDB Entry DOI: 10.7270/Q2DJ5KB8
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50202432 (CHEMBL410883) Show SMILES NC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C15H13N5O4S/c16-14(21)8-1-6-12-11(7-8)13(15(22)18-12)20-19-9-2-4-10(5-3-9)25(17,23)24/h1-7,19H,(H2,16,21)(H2,17,23,24)(H,18,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...				Eur J Med Chem 122: 366-381 (2016) Article DOI: 10.1016/j.ejmech.2016.06.034 BindingDB Entry DOI: 10.7270/Q2154K1N
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50263013 (CHEMBL4079206) Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r| Show InChI InChI=1S/C23H21Cl2NO5/c1-26-8-7-14(20(30)11-26)21-18(28)10-19(29)22-17(27)9-12(31-23(21)22)5-6-13-15(24)3-2-4-16(13)25/h2-6,9-10,14,20,28-30H,7-8,11H2,1H3/b6-5+/t14-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Medicinal Chemistry Division, CSIR-Indian Institute of Integrative Medicine , Canal Road, Jammu-180001, India. Curated by ChEMBL					Assay Description Inhibition of CDK1/cyclin A (unknown origin) after 30 mins in presence of [33P]-gamma-ATP by filter binding assay				J Med Chem 61: 1664-1687 (2018) Article DOI: 10.1021/acs.jmedchem.7b01765 BindingDB Entry DOI: 10.7270/Q2DV1NC4
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50433369 (CHEMBL2377825) Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)sc1C(=O)c1ccccc1[N+]([O-])=O Show InChI InChI=1S/C16H13N5O5S2/c17-15-14(13(22)11-3-1-2-4-12(11)21(23)24)27-16(20-15)19-9-5-7-10(8-6-9)28(18,25)26/h1-8H,17H2,(H,19,20)(H2,18,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
H. Lee Moffitt Cancer Center and Research Institute Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin A (unknown origin)-mediated phosphorylation of peptide substrate incubated for 15 mins prior to substrate addition measured...				J Med Chem 56: 3768-82 (2013) Article DOI: 10.1021/jm301234k BindingDB Entry DOI: 10.7270/Q25T3MV7
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50202434 (GW276655X) Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)-c2cnco2)cc1 Show InChI InChI=1S/C17H13N5O4S/c18-27(24,25)12-4-2-11(3-5-12)21-22-16-13-7-10(15-8-19-9-26-15)1-6-14(13)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...				Eur J Med Chem 122: 366-381 (2016) Article DOI: 10.1016/j.ejmech.2016.06.034 BindingDB Entry DOI: 10.7270/Q2154K1N
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50202329 (GW305178X) Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4ncccc4c23)cc1 Show InChI InChI=1S/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...				Eur J Med Chem 122: 366-381 (2016) Article DOI: 10.1016/j.ejmech.2016.06.034 BindingDB Entry DOI: 10.7270/Q2154K1N
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464620 (CHEMBL4284941 | US11091476, Example 15) Show SMILES CC1=Nc2ccc(cc2C11CCCC1)-c1nc(Nc2ccc(cn2)C2CCNCC2)ncc1F |t:1| Show InChI InChI=1S/C27H29FN6/c1-17-27(10-2-3-11-27)21-14-19(4-6-23(21)32-17)25-22(28)16-31-26(34-25)33-24-7-5-20(15-30-24)18-8-12-29-13-9-18/h4-7,14-16,18,29H,2-3,8-13H2,1H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50202433 (CHEMBL411426) Show SMILES CC(C)c1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c12 Show InChI InChI=1S/C17H18N4O3S/c1-10(2)13-4-3-5-14-15(13)16(17(22)19-14)21-20-11-6-8-12(9-7-11)25(18,23)24/h3-10,20H,1-2H3,(H2,18,23,24)(H,19,21,22)	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	37	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...				Eur J Med Chem 122: 366-381 (2016) Article DOI: 10.1016/j.ejmech.2016.06.034 BindingDB Entry DOI: 10.7270/Q2154K1N
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50202321 (CHEMBL271160) Show SMILES CC(C)Oc1cccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c12 Show InChI InChI=1S/C17H18N4O4S/c1-10(2)25-14-5-3-4-13-15(14)16(17(22)19-13)21-20-11-6-8-12(9-7-11)26(18,23)24/h3-10,20H,1-2H3,(H2,18,23,24)(H,19,21,22)	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...				Eur J Med Chem 122: 366-381 (2016) Article DOI: 10.1016/j.ejmech.2016.06.034 BindingDB Entry DOI: 10.7270/Q2154K1N
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50202378 (CHEMBL407709) Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4ncsc4c23)cc1 Show InChI InChI=1S/C15H11N5O3S2/c16-25(22,23)9-3-1-8(2-4-9)19-20-13-12-10(18-15(13)21)5-6-11-14(12)24-7-17-11/h1-7,19H,(H2,16,22,23)(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...				Eur J Med Chem 122: 366-381 (2016) Article DOI: 10.1016/j.ejmech.2016.06.034 BindingDB Entry DOI: 10.7270/Q2154K1N
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464612 (CHEMBL4279791 | US11091476, Example 23) Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1 |t:25| Show InChI InChI=1S/C28H31FN6/c1-18-28(11-3-4-12-28)22-15-20(5-7-24(22)32-18)26-23(29)17-31-27(34-26)33-25-8-6-21(16-30-25)19-9-13-35(2)14-10-19/h5-8,15-17,19H,3-4,9-14H2,1-2H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464610 (CHEMBL4279275 | US11091476, Example 35) Show SMILES CCC1(C)C(C)=Nc2ccc(cc12)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |c:5| Show InChI InChI=1S/C27H31FN6/c1-5-27(3)17(2)31-23-8-6-19(14-21(23)27)25-22(28)16-30-26(33-25)32-24-9-7-20(15-29-24)18-10-12-34(4)13-11-18/h6-9,14-16,18H,5,10-13H2,1-4H3,(H,29,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50110183 (Abemaciclib | LY-2835219 | US10626107, Example LY2...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1 Show InChI InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM448933 (N-(5-(4-Aminopiperidine-1-yl)pyridin-2-yl)-5-fluor...) Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCC(N)CC2)ncc1F Show InChI InChI=1S/C26H28F2N8/c1-26(2)8-5-22-33-24-18(27)11-15(12-20(24)36(22)26)23-19(28)14-31-25(34-23)32-21-4-3-17(13-30-21)35-9-6-16(29)7-10-35/h3-4,11-14,16H,5-10,29H2,1-2H3,(H,30,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464608 (CHEMBL4278904 | US11091476, Example 19) Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C3(C)CC)c(F)c2)nc1 |t:26| Show InChI InChI=1S/C27H31F2N7/c1-5-27(4)17(3)32-25-20(27)13-18(14-21(25)28)24-22(29)16-31-26(34-24)33-23-8-7-19(15-30-23)36-11-9-35(6-2)10-12-36/h7-8,13-16H,5-6,9-12H2,1-4H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464631 (CHEMBL4288327 | US11091476, Example 29) Show SMILES CCC1(CC)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F |c:6| Show InChI InChI=1S/C26H29F2N7/c1-4-26(5-2)16(3)32-24-19(26)12-17(13-20(24)27)23-21(28)15-31-25(34-23)33-22-7-6-18(14-30-22)35-10-8-29-9-11-35/h6-7,12-15,29H,4-5,8-11H2,1-3H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464622 (CHEMBL4280423 | US11091476, Example 7) Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F |c:5| Show InChI InChI=1S/C25H27F2N7/c1-4-25(3)15(2)31-23-18(25)11-16(12-19(23)26)22-20(27)14-30-24(33-22)32-21-6-5-17(13-29-21)34-9-7-28-8-10-34/h5-6,11-14,28H,4,7-10H2,1-3H3,(H,29,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM448924 (5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...) Show SMILES CC1(C)CCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F Show InChI InChI=1S/C25H26F2N8/c1-25(2)6-5-21-32-23-17(26)11-15(12-19(23)35(21)25)22-18(27)14-30-24(33-22)31-20-4-3-16(13-29-20)34-9-7-28-8-10-34/h3-4,11-14,28H,5-10H2,1-2H3,(H,29,30,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	86.6	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM448979 (N-(5-(3,5-Dimethylpiperazin-1-yl)pyridin-2-yl)-5-f...) Show SMILES CC1CN(CC(C)N1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 Show InChI InChI=1S/C27H30F2N8/c1-15-13-36(14-16(2)32-15)18-5-6-22(30-11-18)33-26-31-12-20(29)24(35-26)17-9-19(28)25-21(10-17)37-23(34-25)7-8-27(37,3)4/h5-6,9-12,15-16,32H,7-8,13-14H2,1-4H3,(H,30,31,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94.8	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464619 (CHEMBL4292139 | US11091476, Example 16) Show SMILES CCC1(CC)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |c:6| Show InChI InChI=1S/C27H31F2N7/c1-5-27(6-2)17(3)32-25-20(27)13-18(14-21(25)28)24-22(29)16-31-26(34-24)33-23-8-7-19(15-30-23)36-11-9-35(4)10-12-36/h7-8,13-16H,5-6,9-12H2,1-4H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464607 (CHEMBL4293340 | US11091476, Example 36) Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C(C)(CC)c3c2)nc1 |t:26| Show InChI InChI=1S/C27H32FN7/c1-5-27(4)18(3)31-23-9-7-19(15-21(23)27)25-22(28)17-30-26(33-25)32-24-10-8-20(16-29-24)35-13-11-34(6-2)12-14-35/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,29,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM448930 (4-(1,1-Dimethyl-2,3-dihydro-1H-benzo[d]pyrrolo[1,2...) Show SMILES CC1(C)CCc2nc3ccc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F Show InChI InChI=1S/C25H27FN8/c1-25(2)8-7-22-30-19-5-3-16(13-20(19)34(22)25)23-18(26)15-29-24(32-23)31-21-6-4-17(14-28-21)33-11-9-27-10-12-33/h3-6,13-15,27H,7-12H2,1-2H3,(H,28,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464603 (CHEMBL4291541 | US11091476, Example 11) Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)C2CCNCC2)ncc1F |c:5| Show InChI InChI=1S/C26H28F2N6/c1-4-26(3)15(2)32-24-19(26)11-18(12-20(24)27)23-21(28)14-31-25(34-23)33-22-6-5-17(13-30-22)16-7-9-29-10-8-16/h5-6,11-14,16,29H,4,7-10H2,1-3H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464617 (CHEMBL4284737 | US11091476, Example 34) Show SMILES CCC1(C)C(C)=Nc2ccc(cc12)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |c:5| Show InChI InChI=1S/C26H30FN7/c1-5-26(3)17(2)30-22-8-6-18(14-20(22)26)24-21(27)16-29-25(32-24)31-23-9-7-19(15-28-23)34-12-10-33(4)11-13-34/h6-9,14-16H,5,10-13H2,1-4H3,(H,28,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464605 (CHEMBL4289967) Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C(C)(CC)c3c2)nc1 |t:26| Show InChI InChI=1S/C28H33FN6/c1-5-28(4)18(3)32-24-9-7-20(15-22(24)28)26-23(29)17-31-27(34-26)33-25-10-8-21(16-30-25)19-11-13-35(6-2)14-12-19/h7-10,15-17,19H,5-6,11-14H2,1-4H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464628 (CHEMBL4284301 | US11091476, Example 24) Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)C2CCN(C)CC2)ncc1F |c:5| Show InChI InChI=1S/C27H30F2N6/c1-5-27(3)16(2)32-25-20(27)12-19(13-21(25)28)24-22(29)15-31-26(34-24)33-23-7-6-18(14-30-23)17-8-10-35(4)11-9-17/h6-7,12-15,17H,5,8-11H2,1-4H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464629 (CHEMBL4286823 | US11091476, Example 21) Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1 |t:26| Show InChI InChI=1S/C29H33FN6/c1-3-36-14-10-20(11-15-36)22-7-9-26(31-17-22)34-28-32-18-24(30)27(35-28)21-6-8-25-23(16-21)29(19(2)33-25)12-4-5-13-29/h6-9,16-18,20H,3-5,10-15H2,1-2H3,(H,31,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464626 (CHEMBL4288134 | US11091476, Example 32) Show SMILES CCC1(C)C(C)=Nc2ccc(cc12)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F |c:5| Show InChI InChI=1S/C25H28FN7/c1-4-25(3)16(2)30-21-7-5-17(13-19(21)25)23-20(26)15-29-24(32-23)31-22-8-6-18(14-28-22)33-11-9-27-10-12-33/h5-8,13-15,27H,4,9-12H2,1-3H3,(H,28,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464614 (CHEMBL4277525 | US11091476, Example 6) Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCNCC3)ncc2F)C11CCCC1 |t:1| Show InChI InChI=1S/C26H27F2N7/c1-16-26(6-2-3-7-26)19-12-17(13-20(27)24(19)32-16)23-21(28)15-31-25(34-23)33-22-5-4-18(14-30-22)35-10-8-29-9-11-35/h4-5,12-15,29H,2-3,6-11H2,1H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464630 (CHEMBL4281514 | US11091476, Example 18) Show SMILES CCC1(C)C(C)=Nc2c1cc(cc2F)-c1nc(Nc2ccc(cn2)N2CCN(C)CC2)ncc1F |c:5| Show InChI InChI=1S/C26H29F2N7/c1-5-26(3)16(2)31-24-19(26)12-17(13-20(24)27)23-21(28)15-30-25(33-23)32-22-7-6-18(14-29-22)35-10-8-34(4)9-11-35/h6-7,12-15H,5,8-11H2,1-4H3,(H,29,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464638 (CHEMBL4292616 | US11091476, Example 33) Show SMILES CCC1(C)C(C)=Nc2ccc(cc12)-c1nc(Nc2ccc(cn2)C2CCNCC2)ncc1F |c:5| Show InChI InChI=1S/C26H29FN6/c1-4-26(3)16(2)31-22-7-5-18(13-20(22)26)24-21(27)15-30-25(33-24)32-23-8-6-19(14-29-23)17-9-11-28-12-10-17/h5-8,13-15,17,28H,4,9-12H2,1-3H3,(H,29,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50202312 (CHEMBL272387) Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)cc1 Show InChI InChI=1S/C14H13N5O5S2/c15-25(21,22)9-3-1-8(2-4-9)18-19-13-11-7-10(26(16,23)24)5-6-12(11)17-14(13)20/h1-7,18H,(H2,15,21,22)(H2,16,23,24)(H,17,19,20)	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	170	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...				Eur J Med Chem 122: 366-381 (2016) Article DOI: 10.1016/j.ejmech.2016.06.034 BindingDB Entry DOI: 10.7270/Q2154K1N
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464632 (CHEMBL4279832 | US11091476, Example 30) Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCN(CCO)CC3)ncc2F)C11CCCC1 |t:1| Show InChI InChI=1S/C29H32F2N6O/c1-18-29(8-2-3-9-29)22-14-21(15-23(30)27(22)34-18)26-24(31)17-33-28(36-26)35-25-5-4-20(16-32-25)19-6-10-37(11-7-19)12-13-38/h4-5,14-17,19,38H,2-3,6-13H2,1H3,(H,32,33,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464611 (CHEMBL4280895 | US11091476, Example 26) Show SMILES CCN1CCC(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc3c(N=C(C)C3(C)CC)c(F)c2)nc1 |t:26| Show InChI InChI=1S/C28H32F2N6/c1-5-28(4)17(3)33-26-21(28)13-20(14-22(26)29)25-23(30)16-32-27(35-25)34-24-8-7-19(15-31-24)18-9-11-36(6-2)12-10-18/h7-8,13-16,18H,5-6,9-12H2,1-4H3,(H,31,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	216	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464621 (CHEMBL4276993 | US11091476, Example 14) Show SMILES CC1=Nc2ccc(cc2C11CCCC1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F |t:1| Show InChI InChI=1S/C26H28FN7/c1-17-26(8-2-3-9-26)20-14-18(4-6-22(20)31-17)24-21(27)16-30-25(33-24)32-23-7-5-19(15-29-23)34-12-10-28-11-13-34/h4-7,14-16,28H,2-3,8-13H2,1H3,(H,29,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	234	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM448944 ((S)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...) Show SMILES C[C@H]1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 |r| Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	241	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464624 (CHEMBL4284768 | US11091476, Example 9) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4N=C(C)C5(CCCC5)c4c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H34FN7/c1-3-36-12-14-37(15-13-36)19-21-6-9-26(31-17-21)34-28-32-18-24(30)27(35-28)22-7-8-25-23(16-22)29(20(2)33-25)10-4-5-11-29/h6-9,16-18H,3-5,10-15,19H2,1-2H3,(H,31,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	268	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM448945 ((R)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...) Show SMILES C[C@@H]1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 |r| Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464633 (CHEMBL4285830 | US11091476, Example 13) Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)C3CCNCC3)ncc2F)C11CCCC1 |t:1| Show InChI InChI=1S/C27H28F2N6/c1-16-27(8-2-3-9-27)20-12-19(13-21(28)25(20)33-16)24-22(29)15-32-26(35-24)34-23-5-4-18(14-31-23)17-6-10-30-11-7-17/h4-5,12-15,17,30H,2-3,6-11H2,1H3,(H,31,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	327	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464623 (CHEMBL4287743 | US11091476, Example 28) Show SMILES CC1=Nc2c(cc(cc2F)-c2nc(Nc3ccc(cn3)N3CCN(CCO)CC3)ncc2F)C11CCCC1 |t:1| Show InChI InChI=1S/C28H31F2N7O/c1-18-28(6-2-3-7-28)21-14-19(15-22(29)26(21)33-18)25-23(30)17-32-27(35-25)34-24-5-4-20(16-31-24)37-10-8-36(9-11-37)12-13-38/h4-5,14-17,38H,2-3,6-13H2,1H3,(H,31,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50202289 (CHEMBL272389) Show SMILES CS(=O)(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1 Show InChI InChI=1S/C15H14N4O5S2/c1-25(21,22)11-6-7-13-12(8-11)14(15(20)17-13)19-18-9-2-4-10(5-3-9)26(16,23)24/h2-8,18H,1H3,(H2,16,23,24)(H,17,19,20)	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	350	n/a	n/a	n/a	n/a	n/a	n/a
Egyptian Russian University Curated by ChEMBL					Assay Description Inhibition of human CDK1/cyclinA expressed in Baculovirus infected Sf9 cells using Biotin-aminohexyl-Ala-Arg-Arg-Pro-Met-Ser-Pro-Lys-LysLys-Ala-CONH2...				Eur J Med Chem 122: 366-381 (2016) Article DOI: 10.1016/j.ejmech.2016.06.034 BindingDB Entry DOI: 10.7270/Q2154K1N
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM448936 (5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...) Show SMILES Cc1nc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)ccc1N1CCNCC1 Show InChI InChI=1S/C26H28F2N8/c1-15-19(35-10-8-29-9-11-35)4-5-21(31-15)32-25-30-14-18(28)23(34-25)16-12-17(27)24-20(13-16)36-22(33-24)6-7-26(36,2)3/h4-5,12-14,29H,6-11H2,1-3H3,(H,30,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	351	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50455057 (CHEMBL4215702 | US10696678, Example 20) Show SMILES CN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C27H30F2N8/c1-27(2)7-6-23-33-25-19(28)12-18(13-21(25)37(23)27)24-20(29)15-31-26(34-24)32-22-5-4-17(14-30-22)16-36-10-8-35(3)9-11-36/h4-5,12-15H,6-11,16H2,1-3H3,(H,30,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	354	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM448940 (N-(5-(4-Ethylpiperazin-1-yl)pyridin-2-yl)-5-fluoro...) Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 Show InChI InChI=1S/C27H30F2N8/c1-4-35-9-11-36(12-10-35)18-5-6-22(30-15-18)32-26-31-16-20(29)24(34-26)17-13-19(28)25-21(14-17)37-23(33-25)7-8-27(37,2)3/h5-6,13-16H,4,7-12H2,1-3H3,(H,30,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	376	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464618 (CHEMBL4294940 | US11091476, Example 25) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(F)c(n2)-c2ccc3N=C(C)C4(CCCC4)c3c2)nc1 |t:25| Show InChI InChI=1S/C27H30FN7/c1-18-27(9-3-4-10-27)21-15-19(5-7-23(21)31-18)25-22(28)17-30-26(33-25)32-24-8-6-20(16-29-24)35-13-11-34(2)12-14-35/h5-8,15-17H,3-4,9-14H2,1-2H3,(H,29,30,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50464616 (CHEMBL4290839 | US11091476, Example 10) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc4c(N=C(C)C4(CC)CC)c(F)c3)nc2)CC1 |t:24| Show InChI InChI=1S/C29H35F2N7/c1-5-29(6-2)19(4)34-27-22(29)14-21(15-23(27)30)26-24(31)17-33-28(36-26)35-25-9-8-20(16-32-25)18-38-12-10-37(7-3)11-13-38/h8-9,14-17H,5-7,10-13,18H2,1-4H3,(H,32,33,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	436	n/a	n/a	n/a	n/a	n/a	n/a
Beijing Normal University Curated by ChEMBL					Assay Description Inhibition of CDK1/Cyclin-A2 (unknown origin) using histone-H1 as substrate after 90 mins by ADP-Glo assay				Eur J Med Chem 144: 1-28 (2018) Article DOI: 10.1016/j.ejmech.2017.12.003 BindingDB Entry DOI: 10.7270/Q28C9ZX0
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM448962 (5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-1H-b...) Show SMILES CC1CN(CCN1)c1ccc(Nc2ncc(F)c(n2)-c2cc(F)c3nc4CCC(C)(C)n4c3c2)nc1 Show InChI InChI=1S/C26H28F2N8/c1-15-14-35(9-8-29-15)17-4-5-21(30-12-17)32-25-31-13-19(28)23(34-25)16-10-18(27)24-20(11-16)36-22(33-24)6-7-26(36,2)3/h4-5,10-13,15,29H,6-9,14H2,1-3H3,(H,30,31,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	481	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM448951 ((S)-5-Fluoro-4-(5-fluoro-1,1-dimethyl-2,3-dihydro-...) Show SMILES C[C@H]1CN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCC(C)(C)n5c4c3)nc2)CCN1 |r| Show InChI InChI=1S/C27H30F2N8/c1-16-14-36(9-8-30-16)15-17-4-5-22(31-12-17)33-26-32-13-20(29)24(35-26)18-10-19(28)25-21(11-18)37-23(34-25)6-7-27(37,2)3/h4-5,10-13,16,30H,6-9,14-15H2,1-3H3,(H,31,32,33,35)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50455051 (CHEMBL4210028 | US10696678, Example 24) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3ccc4nc5CCC(C)(C)n5c4c3)nc2)CC1 Show InChI InChI=1S/C28H33FN8/c1-4-35-11-13-36(14-12-35)18-19-5-8-24(30-16-19)33-27-31-17-21(29)26(34-27)20-6-7-22-23(15-20)37-25(32-22)9-10-28(37,2)3/h5-8,15-17H,4,9-14,18H2,1-3H3,(H,30,31,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
GAN & LEE PHARMACEUTICALS US Patent					Assay Description In vitro inhibition of CDK (CDK1, CDK4, CDK6) activity by compounds of the present invention was tested by the following method.1. Preparation of kin...				US Patent US10696678 (2020) BindingDB Entry DOI: 10.7270/Q2Q2439M
					More data for this Ligand-Target Pair

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