Compile Data Set for Download or QSAR

Found 46 hits of ic50 for UniProtKB: P20248   

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 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35167 (indazole-benzimidazole, 3) Show SMILES COc1cc(ccc1O)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)21-5-3-4-19-25(21)28-26(27-19)24-18-8-6-16(14-20(18)29-30-24)17-7-9-22(33)23(15-17)34-2/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35190 (pyrazolo[3,4-b]-pyridine, 2) Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(C(=O)NC3CC3)c2cc1Br Show InChI InChI=1S/C16H13BrN4O2/c17-12-7-11-14(16(23)18-9-3-4-9)20-21-15(11)19-13(12)8-1-5-10(22)6-2-8/h1-2,5-7,9,22H,3-4H2,(H,18,23)(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533751 (Preparation of 7-(4-(6-(6-acetyl-8-cyclopentyl-5-m...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CCCCCCC(=O)NO)CC3)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533754 (Preparation of 8-(4-(6-((6-acetyl-8-cyclopentyl-5-...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CCCCCCCC(=O)NO)CC3)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533755 (Preparation of 4-((4-(6-((6-acetyl-8-cyclopentyl-5...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(Cc4ccc(cc4)C(=O)NO)CC3)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533741 (US11225492, Compound 7S) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc4N5CCNC[C@H]5COc4c3)nc2n(C2CCCC2)c1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533586 (2-(5-(3,7-diazabicyclo[3.3.1]nonan-3-yl)pyridin-2-...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CC4CNCC(C4)C3)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533726 (2-(5-(2,7-Diazaspiro[3.5]nonan-7-yl)pyridin-2-ylam...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCC4(CNC4)CC3)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533737 (Preparation of 2-(5-(3,9-diazaspiro[5.5]undecan-3-...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCC4(CCNCC4)CC3)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533749 (Preparation of 8-(4-(6-(6-acetyl-8-cyclopentyl-5-m...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCCCCCC(=O)NO)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533742 (Preparation of 6-acetyl-8-cyclopentyl-5-methyl-2-(...) Show SMILES C.C.CC(=O)c1c(C)c2cnc(Nc3ccc4CNCCc4n3)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533740 (US11225492, Compound 7R) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc4N5CCNC[C@@H]5COc4c3)nc2n(C2CCCC2)c1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533739 (US11225492, Compound 7) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc4N5CCNCC5COc4c3)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533738 (US11225492, Compound 6) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCCC4(CCNCC4)C3)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35168 (indazole-benzimidazole, 4) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C25H24N6O/c1-30-11-13-31(14-12-30)22-4-2-3-20-24(22)27-25(26-20)23-19-10-7-17(15-21(19)28-29-23)16-5-8-18(32)9-6-16/h2-10,15,32H,11-14H2,1H3,(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533621 (2-(5-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)pyri...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CC4CNCC(C3)O4)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533727 (US11225492, Compound 4-1) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CC4CNCC(C3)C4(F)F)nc2n(C2CCCC2)c1=O |TLB:14:17:20.21.22:25| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533750 (Preparation of 5-(4-(6-(6-acetyl-8-cyclopentyl-5-m...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCCC(=O)NO)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM515983 (US11053238, Com. EX. 6) Show SMILES CC1(C)CCCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(CN3CCNCC3)cn2)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM515951 (US11053238, Com. EX. 5) Show SMILES CC1(C)CCCc2nc3c(F)cc(cc3n12)-c1nc(Nc2ccc(cn2)N2CCN(CC2)C2COC2)ncc1F Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533728 (US11225492, Compound 4-2) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CC4CNCC(C3)C4(F)F)nc2n(C2CCCC2)c1=O |THB:14:17:25:20.22.21| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533757 (Preparation of 6-((6-acetyl-8-cyclopentyl-5-methyl...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)C(=O)NO)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM533760 (Preparation of 6-((6-acetyl-8-cyclopentyl-5-methyl...) Show SMILES CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)C(=O)NCCCCCCC(=O)NO)nc2n(C2CCCC2)c1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description In vitro enzymatic activity of the CDK isoforms CDK2/CycA2, CDK4/CycD3 and CDK6/cycD3 were measured using Mobility Shift Assay that monitors phosphor...				Citation and Details BindingDB Entry DOI: 10.7270/Q27S7RZ1
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35166 (indazole-benzimidazole, 1) Show SMILES COc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N6O2/c1-31-10-12-32(13-11-31)22-5-3-4-20-25(22)28-26(27-20)24-19-8-6-16(14-21(19)29-30-24)18-9-7-17(33)15-23(18)34-2/h3-9,14-15,33H,10-13H2,1-2H3,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35176 (indazole-benzimidazole, 12) Show SMILES COc1cc(ccc1N)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1 Show InChI InChI=1S/C26H27N7O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-18-8-6-16(14-21(18)30-31-24)17-7-9-19(27)23(15-17)34-2/h3-9,14-15H,10-13,27H2,1-2H3,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	247	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM515905 (N-(5-((4-ethylpiperazin- 1-yl)methyl) pyridin-2-yl...) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5CCCC(C)n5c4c3)nc2)CC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM515923 (US11053238, Compound 16b | US11053238, Example 16b) Show SMILES CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc5COC[C@H](C)n5c4c3)nc2)CC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM515904 (4-(6-fluoro-1- methyl-1,2,3,4- tetrahydrobenzo[4,5...) Show SMILES CC1CCCc2nc3c(F)cc(cc3n12)-c1ccnc(Nc2ccc(cn2)N2CCN(C)CC2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description To demonstrate that the compounds exhibit affinity for CDK kinases (CDK2/CycA2, CDK4/CycD3, CDK6/cycD3), CDK kinase assays were performed.Reaction bu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2959MRV
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35173 (indazole-benzimidazole, 9) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(N)cc1 Show InChI InChI=1S/C25H25N7/c1-31-11-13-32(14-12-31)22-4-2-3-20-24(22)28-25(27-20)23-19-10-7-17(15-21(19)29-30-23)16-5-8-18(26)9-6-16/h2-10,15H,11-14,26H2,1H3,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM172196 (US9090564, 10 | US9096594, 22) Show SMILES Cc1nccc(-c2ccc(C(=O)N3CCOCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C24H21ClN4O2/c1-16-19(5-2-17-3-7-23(26)28-15-17)20(8-9-27-16)18-4-6-21(22(25)14-18)24(30)29-10-12-31-13-11-29/h3-4,6-9,14-15H,10-13H2,1H3,(H2,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	25
The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G...				US Patent US9096594 (2015) BindingDB Entry DOI: 10.7270/Q21Z435K
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35175 (indazole-benzimidazole, 11) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(N)c(F)c1 Show InChI InChI=1S/C25H24FN7/c1-32-9-11-33(12-10-32)22-4-2-3-20-24(22)29-25(28-20)23-17-7-5-16(14-21(17)30-31-23)15-6-8-19(27)18(26)13-15/h2-8,13-14H,9-12,27H2,1H3,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM172197 (US9090564, 11 | US9096594, 54) Show SMILES CN(C)C(=O)c1ccc(cc1Cl)-c1ccnc(C)c1C#Cc1ccc(N)nc1 Show InChI InChI=1S/C22H19ClN4O/c1-14-17(7-4-15-5-9-21(24)26-13-15)18(10-11-25-14)16-6-8-19(20(23)12-16)22(28)27(2)3/h5-6,8-13H,1-3H3,(H2,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	25
The Broad Institute, Inc.; The General Hospital Corporation; Dana-Farber Cancer Institute, Inc. US Patent					Assay Description The GSK3beta primary screen was conducted in assay ready 1536 plates (Aurora 29847) that contain 2.5 mL/well of 10 mM compound. Human GSK3beta as a G...				US Patent US9096594 (2015) BindingDB Entry DOI: 10.7270/Q21Z435K
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35174 (indazole-benzimidazole, 10) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1cccc(N)c1 Show InChI InChI=1S/C25H25N7/c1-31-10-12-32(13-11-31)22-7-3-6-20-24(22)28-25(27-20)23-19-9-8-17(15-21(19)29-30-23)16-4-2-5-18(26)14-16/h2-9,14-15H,10-13,26H2,1H3,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35172 (indazole-benzimidazole, 8) Show SMILES COc1cc(F)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1 Show InChI InChI=1S/C26H25FN6O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-19-8-6-16(14-21(19)30-31-24)18-9-7-17(27)15-23(18)34-2/h3-9,14-15H,10-13H2,1-2H3,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35171 (indazole-benzimidazole, 7) Show SMILES COc1ccccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1 Show InChI InChI=1S/C26H26N6O/c1-31-12-14-32(15-13-31)22-8-5-7-20-25(22)28-26(27-20)24-19-11-10-17(16-21(19)29-30-24)18-6-3-4-9-23(18)33-2/h3-11,16H,12-15H2,1-2H3,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35170 (indazole-benzimidazole, 6) Show SMILES COc1ccc(c(OC)c1)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1 Show InChI InChI=1S/C27H28N6O2/c1-32-11-13-33(14-12-32)23-6-4-5-21-26(23)29-27(28-21)25-20-9-7-17(15-22(20)30-31-25)19-10-8-18(34-2)16-24(19)35-3/h4-10,15-16H,11-14H2,1-3H3,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35177 (indazole-benzimidazole, 13) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(CN)cc1 Show InChI InChI=1S/C26H27N7/c1-32-11-13-33(14-12-32)23-4-2-3-21-25(23)29-26(28-21)24-20-10-9-19(15-22(20)30-31-24)18-7-5-17(16-27)6-8-18/h2-10,15H,11-14,16,27H2,1H3,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35178 (indazole-benzimidazole, 14) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C27H27N7O/c1-17(35)28-20-9-6-18(7-10-20)19-8-11-21-23(16-19)31-32-25(21)27-29-22-4-3-5-24(26(22)30-27)34-14-12-33(2)13-15-34/h3-11,16H,12-15H2,1-2H3,(H,28,35)(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35187 (indazole-benzimidazole, 23) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc2ncccc2c1 Show InChI InChI=1S/C28H25N7/c1-34-12-14-35(15-13-34)25-6-2-5-23-27(25)31-28(30-23)26-21-9-7-19(17-24(21)32-33-26)18-8-10-22-20(16-18)4-3-11-29-22/h2-11,16-17H,12-15H2,1H3,(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35186 (indazole-benzimidazole, 22) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C27H25N7/c1-33-11-13-34(14-12-33)24-4-2-3-22-26(24)30-27(29-22)25-20-7-5-18(16-23(20)31-32-25)17-6-8-21-19(15-17)9-10-28-21/h2-10,15-16,28H,11-14H2,1H3,(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35182 (indazole-benzimidazole, 18) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H24N6O2/c1-31-11-13-32(14-12-31)22-4-2-3-20-24(22)28-25(27-20)23-19-10-9-18(15-21(19)29-30-23)16-5-7-17(8-6-16)26(33)34/h2-10,15H,11-14H2,1H3,(H,27,28)(H,29,30)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35181 (indazole-benzimidazole, 17) Show SMILES COc1cc(N)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1 Show InChI InChI=1S/C26H27N7O/c1-32-10-12-33(13-11-32)22-5-3-4-20-25(22)29-26(28-20)24-19-8-6-16(14-21(19)30-31-24)18-9-7-17(27)15-23(18)34-2/h3-9,14-15H,10-13,27H2,1-2H3,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35183 (indazole-benzimidazole, 19) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(cc1)C(C)=O Show InChI InChI=1S/C27H26N6O/c1-17(34)18-6-8-19(9-7-18)20-10-11-21-23(16-20)30-31-25(21)27-28-22-4-3-5-24(26(22)29-27)33-14-12-32(2)13-15-33/h3-11,16H,12-15H2,1-2H3,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35169 (indazole-benzimidazole, 5) Show SMILES CN1CCN(CC1)c1cccc2[nH]c(nc12)-c1n[nH]c2cc(ccc12)-c1ccc(CO)cc1 Show InChI InChI=1S/C26H26N6O/c1-31-11-13-32(14-12-31)23-4-2-3-21-25(23)28-26(27-21)24-20-10-9-19(15-22(20)29-30-24)18-7-5-17(16-33)6-8-18/h2-10,15,33H,11-14,16H2,1H3,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+4	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [177-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM35179 (indazole-benzimidazole, 15) Show SMILES CNc1ccc(cc1)-c1ccc2c(n[nH]c2c1)-c1nc2c(cccc2[nH]1)N1CCN(C)CC1 Show InChI InChI=1S/C26H27N7/c1-27-19-9-6-17(7-10-19)18-8-11-20-22(16-18)30-31-24(20)26-28-21-4-3-5-23(25(21)29-26)33-14-12-32(2)13-15-33/h3-11,16,27H,12-15H2,1-2H3,(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	25
Pfizer					Assay Description Active cyclin dependent kinase 2 (CDK2) activity was determined by measuring the phosphorylation of Histone type 3 (Sigma H5505), in the presence of ...				Bioorg Med Chem Lett 19: 908-11 (2009) Article DOI: 10.1016/j.bmcl.2008.11.105 BindingDB Entry DOI: 10.7270/Q2G73C1H
					More data for this Ligand-Target Pair				3D Structure (docked)