Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50046776   

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-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130709 (CHEMBL3632736) Show SMILES Ic1ccc(Nc2ncnc3[nH]ncc23)cc1 Show InChI InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	3.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50067326 (CHEMBL3237084) Show SMILES CCOC(=O)c1sc2ncnc(Nc3ccc(F)cc3)c2c1C Show InChI InChI=1S/C16H14FN3O2S/c1-3-22-16(21)13-9(2)12-14(18-8-19-15(12)23-13)20-11-6-4-10(17)5-7-11/h4-8H,3H2,1-2H3,(H,18,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130693 (CGP-57380 | CHEMBL1240885) Show SMILES Nc1ncnc2[nH]nc(Nc3ccc(F)cc3)c12 Show InChI InChI=1S/C11H9FN6/c12-6-1-3-7(4-2-6)16-11-8-9(13)14-5-15-10(8)17-18-11/h1-5H,(H4,13,14,15,16,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM98036 (US8486953, 19) Show SMILES COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C Show InChI InChI=1S/C18H18FN3O3S/c1-9(2)25-13-7-11(19)5-6-12(13)22-16-14-10(3)15(18(23)24-4)26-17(14)21-8-20-16/h5-9H,1-4H3,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130707 (CHEMBL3632747) Show SMILES COCCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C Show InChI InChI=1S/C21H25FN4O3S/c1-12(2)29-16-10-14(22)6-7-15(16)26-19-17-13(3)18(30-21(17)25-11-24-19)20(27)23-8-5-9-28-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,23,27)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130703 (CHEMBL3632743) Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(N)=O)c(C)c12 Show InChI InChI=1S/C17H17FN4O2S/c1-8(2)24-12-6-10(18)4-5-11(12)22-16-13-9(3)14(15(19)23)25-17(13)21-7-20-16/h4-8H,1-3H3,(H2,19,23)(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130704 (CHEMBL3632744) Show SMILES CNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C Show InChI InChI=1S/C18H19FN4O2S/c1-9(2)25-13-7-11(19)5-6-12(13)23-16-14-10(3)15(17(24)20-4)26-18(14)22-8-21-16/h5-9H,1-4H3,(H,20,24)(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130705 (CHEMBL3632745) Show SMILES CCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C Show InChI InChI=1S/C19H21FN4O2S/c1-5-21-18(25)16-11(4)15-17(22-9-23-19(15)27-16)24-13-7-6-12(20)8-14(13)26-10(2)3/h6-10H,5H2,1-4H3,(H,21,25)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130706 (CHEMBL3632746) Show SMILES COCCNC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C Show InChI InChI=1S/C20H23FN4O3S/c1-11(2)28-15-9-13(21)5-6-14(15)25-18-16-12(3)17(19(26)22-7-8-27-4)29-20(16)24-10-23-18/h5-6,9-11H,7-8H2,1-4H3,(H,22,26)(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130708 (CHEMBL3632735) Show SMILES C[C@H]1CCc2c(C1)sc1ncnc(Nc3ccc(F)c(Cl)c3)c21 |r| Show InChI InChI=1S/C17H15ClFN3S/c1-9-2-4-11-14(6-9)23-17-15(11)16(20-8-21-17)22-10-3-5-13(19)12(18)7-10/h3,5,7-9H,2,4,6H2,1H3,(H,20,21,22)/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50130702 (CHEMBL3632742) Show SMILES CC(C)Oc1cc(F)ccc1Nc1ncnc2sc(C(O)=O)c(C)c12 Show InChI InChI=1S/C17H16FN3O3S/c1-8(2)24-12-6-10(18)4-5-11(12)21-15-13-9(3)14(17(22)23)25-16(13)20-7-19-15/h4-8H,1-3H3,(H,22,23)(H,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Australia Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclinA (unknown origin) using TAMRA-labeled eIF4E peptide as substrate incubated for 10 mins followed by addition of ATP measured...				Eur J Med Chem 103: 539-50 (2015) Article DOI: 10.1016/j.ejmech.2015.09.008 BindingDB Entry DOI: 10.7270/Q2S184B8
					More data for this Ligand-Target Pair