Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 910   

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-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7167 (3-(4-sulfamoylphenyl)-3,4,10,11-tetraazatricyclo[7...) Show SMILES NC(=O)c1nn(-c2ccc(cc2)S(N)(=O)=O)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7H,(H2,16,22)(H,18,19)(H2,17,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7177 (3-(4-methanesulfonylphenyl)-3,4,10,11-tetraazatric...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C16H13N5O3S/c1-25(23,24)10-4-2-9(3-5-10)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-8H,1H3,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7169 (3-[4-(methylsulfamoyl)phenyl]-3,4,10,11-tetraazatr...) Show SMILES CNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C16H14N6O3S/c1-18-26(24,25)10-4-2-9(3-5-10)22-15-11(14(21-22)16(17)23)6-7-13-12(15)8-19-20-13/h2-8,18H,1H3,(H2,17,23)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7214 (3-(2,2,2-trifluoroethyl)-3,4,10,11-tetraazatricycl...) Show SMILES NC(=O)c1nn(CC(F)(F)F)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C11H8F3N5O/c12-11(13,14)4-19-9-5(8(18-19)10(15)20)1-2-7-6(9)3-16-17-7/h1-3H,4H2,(H2,15,20)(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7173 (3-[4-(butylsulfamoyl)phenyl]-3,4,10,11-tetraazatri...) Show SMILES CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C19H20N6O3S/c1-2-3-10-22-29(27,28)13-6-4-12(5-7-13)25-18-14(17(24-25)19(20)26)8-9-16-15(18)11-21-23-16/h4-9,11,22H,2-3,10H2,1H3,(H2,20,26)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7166 (3-(4-sulfamoylphenyl)-3,4,10,11-tetraazatricyclo[7...) Show SMILES NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C15H14N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-4,7H,5-6H2,(H2,16,22)(H,18,19)(H2,17,23,24)	PDB MMDB NCI pathway 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	4	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7195 (3-(4-cyanophenyl)-3,4,10,11-tetraazatricyclo[7.3.0...) Show SMILES NC(=O)c1nn(-c2ccc(cc2)C#N)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C16H10N6O/c17-7-9-1-3-10(4-2-9)22-15-11(14(21-22)16(18)23)5-6-13-12(15)8-19-20-13/h1-6,8H,(H2,18,23)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7187 (3-(4-chlorophenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C15H10ClN5O/c16-8-1-3-9(4-2-8)21-14-10(13(20-21)15(17)22)5-6-12-11(14)7-18-19-12/h1-7H,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7206 (3-(pyridin-2-yl)-3,4,10,11-tetraazatricyclo[7.3.0....) Show SMILES NC(=O)c1nn(-c2ccccn2)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C14H10N6O/c15-14(21)12-8-4-5-10-9(7-17-18-10)13(8)20(19-12)11-3-1-2-6-16-11/h1-7H,(H2,15,21)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7185 (3-(4-methoxyphenyl)-3,4,10,11-tetraazatricyclo[7.3...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C16H13N5O2/c1-23-10-4-2-9(3-5-10)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-8H,1H3,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7200 (3-(3-methylphenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES Cc1cccc(c1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C16H13N5O/c1-9-3-2-4-10(7-9)21-15-11(14(20-21)16(17)22)5-6-13-12(15)8-18-19-13/h2-8H,1H3,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7171 (3-[4-(dimethylsulfamoyl)phenyl]-3,4,10,11-tetraaza...) Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C17H16N6O3S/c1-22(2)27(25,26)11-5-3-10(4-6-11)23-16-12(15(21-23)17(18)24)7-8-14-13(16)9-19-20-14/h3-9H,1-2H3,(H2,18,24)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7191 (3-[4-(trifluoromethyl)phenyl]-3,4,10,11-tetraazatr...) Show SMILES NC(=O)c1nn(-c2ccc(cc2)C(F)(F)F)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C16H10F3N5O/c17-16(18,19)8-1-3-9(4-2-8)24-14-10(13(23-24)15(20)25)5-6-12-11(14)7-21-22-12/h1-7H,(H2,20,25)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7181 (3-phenyl-3,4,10,11-tetraazatricyclo[7.3.0.0^{2,6}]...) Show SMILES NC(=O)c1nn(-c2ccccc2)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C15H11N5O/c16-15(21)13-10-6-7-12-11(8-17-18-12)14(10)20(19-13)9-4-2-1-3-5-9/h1-8H,(H2,16,21)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7183 (3-(4-methylphenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES Cc1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C16H13N5O/c1-9-2-4-10(5-3-9)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-8H,1H3,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7197 (3-[4-(morpholin-4-yl)phenyl]-3,4,10,11-tetraazatri...) Show SMILES NC(=O)c1nn(-c2ccc(cc2)N2CCOCC2)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C19H18N6O2/c20-19(26)17-14-5-6-16-15(11-21-22-16)18(14)25(23-17)13-3-1-12(2-4-13)24-7-9-27-10-8-24/h1-6,11H,7-10H2,(H2,20,26)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7212 (3-methyl-3,4,10,11-tetraazatricyclo[7.3.0.0^{2,6}]...) Show SMILES Cn1nc(C(N)=O)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C10H9N5O/c1-15-9-5(8(14-15)10(11)16)2-3-7-6(9)4-12-13-7/h2-4H,1H3,(H2,11,16)(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7215 (3-(2,2,2-trifluoroethyl)-3,4,10,11-tetraazatricycl...) Show SMILES NC(=O)c1nn(CC(F)(F)F)c-2c1CCc1[nH]ncc-21 Show InChI InChI=1S/C11H10F3N5O/c12-11(13,14)4-19-9-5(8(18-19)10(15)20)1-2-7-6(9)3-16-17-7/h3H,1-2,4H2,(H2,15,20)(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7216 (3-(2-hydroxyethyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES NC(=O)c1nn(CCO)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C11H11N5O2/c12-11(18)9-6-1-2-8-7(5-13-14-8)10(6)16(15-9)3-4-17/h1-2,5,17H,3-4H2,(H2,12,18)(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7204 (3-(3-fluorophenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES NC(=O)c1nn(-c2cccc(F)c2)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C15H10FN5O/c16-8-2-1-3-9(6-8)21-14-10(13(20-21)15(17)22)4-5-12-11(14)7-18-19-12/h1-7H,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7202 (3-(3-chlorophenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES NC(=O)c1nn(-c2cccc(Cl)c2)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C15H10ClN5O/c16-8-2-1-3-9(6-8)21-14-10(13(20-21)15(17)22)4-5-12-11(14)7-18-19-12/h1-7H,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7224 (N-hydroxy-3-(4-methoxyphenyl)-3,4,10,11-tetraazatr...) Show SMILES COc1ccc(cc1)-n1nc(C(=O)NO)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C16H13N5O3/c1-24-10-4-2-9(3-5-10)21-15-11(14(19-21)16(22)20-23)6-7-13-12(15)8-17-18-13/h2-8,23H,1H3,(H,17,18)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7176 (3-(4-methanesulfonylphenyl)-3,4,10,11-tetraazatric...) Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12 Show InChI InChI=1S/C16H15N5O3S/c1-25(23,24)10-4-2-9(3-5-10)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-5,8H,6-7H2,1H3,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7189 (3-(4-fluorophenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES NC(=O)c1nn(-c2ccc(F)cc2)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C15H10FN5O/c16-8-1-3-9(4-2-8)21-14-10(13(20-21)15(17)22)5-6-12-11(14)7-18-19-12/h1-7H,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7193 (3-[4-(trifluoromethoxy)phenyl]-3,4,10,11-tetraazat...) Show SMILES NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C16H10F3N5O2/c17-16(18,19)26-9-3-1-8(2-4-9)24-14-10(13(23-24)15(20)25)5-6-12-11(14)7-21-22-12/h1-7H,(H2,20,25)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7168 (3-[4-(methylsulfamoyl)phenyl]-3,4,10,11-tetraazatr...) Show SMILES CNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12 Show InChI InChI=1S/C16H16N6O3S/c1-18-26(24,25)10-4-2-9(3-5-10)22-15-11(14(21-22)16(17)23)6-7-13-12(15)8-19-20-13/h2-5,8,18H,6-7H2,1H3,(H2,17,23)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7208 (3-(pyridin-3-yl)-3,4,10,11-tetraazatricyclo[7.3.0....) Show SMILES NC(=O)c1nn(-c2cccnc2)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C14H10N6O/c15-14(21)12-9-3-4-11-10(7-17-18-11)13(9)20(19-12)8-2-1-5-16-6-8/h1-7H,(H2,15,21)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7198 (3-[4-(1H-imidazol-2-yl)phenyl]-3,4,10,11-tetraazat...) Show SMILES NC(=O)c1nn(-c2ccc(cc2)-c2ncc[nH]2)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C18H13N7O/c19-17(26)15-12-5-6-14-13(9-22-23-14)16(12)25(24-15)11-3-1-10(2-4-11)18-20-7-8-21-18/h1-9H,(H2,19,26)(H,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7179 (3,4,10,11-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(...) Show SMILES NC(=O)c1nnc2c3c[nH][nH]c3ccc12 Show InChI InChI=1S/C9H7N5O/c10-9(15)8-4-1-2-6-5(3-11-12-6)7(4)13-14-8/h1-3,11-12H,(H2,10,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7190 (3-[4-(trifluoromethyl)phenyl]-3,4,10,11-tetraazatr...) Show SMILES NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H12F3N5O/c17-16(18,19)8-1-3-9(4-2-8)24-14-10(13(23-24)15(20)25)5-6-12-11(14)7-21-22-12/h1-4,7H,5-6H2,(H2,20,25)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7210 (3-benzyl-3,4,10,11-tetraazatricyclo[7.3.0.0^{2,6}]...) Show SMILES NC(=O)c1nn(Cc2ccccc2)c2c1ccc1[nH]ncc21 Show InChI InChI=1S/C16H13N5O/c17-16(22)14-11-6-7-13-12(8-18-19-13)15(11)21(20-14)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7184 (3-(4-methoxyphenyl)-3,4,10,11-tetraazatricyclo[7.3...) Show SMILES COc1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12 Show InChI InChI=1S/C16H15N5O2/c1-23-10-4-2-9(3-5-10)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-5,8H,6-7H2,1H3,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7182 (3-(4-methylphenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES Cc1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12 Show InChI InChI=1S/C16H15N5O/c1-9-2-4-10(5-3-9)21-15-11(14(20-21)16(17)22)6-7-13-12(15)8-18-19-13/h2-5,8H,6-7H2,1H3,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7180 (3-phenyl-3,4,10,11-tetraazatricyclo[7.3.0.0^{2,6}]...) Show SMILES NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccccc1 Show InChI InChI=1S/C15H13N5O/c16-15(21)13-10-6-7-12-11(8-17-18-12)14(10)20(19-13)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,16,21)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7175 (3-{4-[(4-methylpiperazine-1-)sulfonyl]phenyl}-3,4,...) Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C20H21N7O3S/c1-25-8-10-26(11-9-25)31(29,30)14-4-2-13(3-5-14)27-19-15(18(24-27)20(21)28)6-7-17-16(19)12-22-23-17/h2-7,12H,8-11H2,1H3,(H2,21,28)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7186 (3-(4-chlorophenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN5O/c16-8-1-3-9(4-2-8)21-14-10(13(20-21)15(17)22)5-6-12-11(14)7-18-19-12/h1-4,7H,5-6H2,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7232 (3-[4-(butylsulfamoyl)phenyl]-N-methyl-3,4,10,11-te...) Show SMILES CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)NC)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C20H22N6O3S/c1-3-4-11-23-30(28,29)14-7-5-13(6-8-14)26-19-15(18(25-26)20(27)21-2)9-10-17-16(19)12-22-24-17/h5-10,12,23H,3-4,11H2,1-2H3,(H,21,27)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7201 (3-(3-methylphenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES Cc1cccc(c1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12 Show InChI InChI=1S/C16H15N5O/c1-9-3-2-4-10(7-9)21-15-11(14(20-21)16(17)22)5-6-13-12(15)8-18-19-13/h2-4,7-8H,5-6H2,1H3,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7194 (3-(4-cyanophenyl)-3,4,10,11-tetraazatricyclo[7.3.0...) Show SMILES NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)C#N Show InChI InChI=1S/C16H12N6O/c17-7-9-1-3-10(4-2-9)22-15-11(14(21-22)16(18)23)5-6-13-12(15)8-19-20-13/h1-4,8H,5-6H2,(H2,18,23)(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7234 (3-[4-(butylsulfamoyl)phenyl]-N-(prop-2-en-1-yloxy)...) Show SMILES CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(=O)NOCC=C)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C22H24N6O4S/c1-3-5-12-24-33(30,31)16-8-6-15(7-9-16)28-21-17(10-11-19-18(21)14-23-25-19)20(26-28)22(29)27-32-13-4-2/h4,6-11,14,24H,2-3,5,12-13H2,1H3,(H,23,25)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7220 (3-(4-methoxyphenyl)-3,4,10,11-tetraazatricyclo[7.3...) Show SMILES COc1ccc(cc1)-n1nc(C(O)=O)c2ccc3[nH]ncc3c12 Show InChI InChI=1S/C16H12N4O3/c1-23-10-4-2-9(3-5-10)20-15-11(14(19-20)16(21)22)6-7-13-12(15)8-17-18-13/h2-8H,1H3,(H,17,18)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7172 (3-[4-(butylsulfamoyl)phenyl]-3,4,10,11-tetraazatri...) Show SMILES CCCCNS(=O)(=O)c1ccc(cc1)-n1nc(C(N)=O)c2CCc3[nH]ncc3-c12 Show InChI InChI=1S/C19H22N6O3S/c1-2-3-10-22-29(27,28)13-6-4-12(5-7-13)25-18-14(17(24-25)19(20)26)8-9-16-15(18)11-21-23-16/h4-7,11,22H,2-3,8-10H2,1H3,(H2,20,26)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7199 (3-[4-(1H-imidazol-2-yl)phenyl]-3,4,10,11-tetraazat...) Show SMILES NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(cc1)-c1ncc[nH]1 Show InChI InChI=1S/C18H15N7O/c19-17(26)15-12-5-6-14-13(9-22-23-14)16(12)25(24-15)11-3-1-10(2-4-11)18-20-7-8-21-18/h1-4,7-9H,5-6H2,(H2,19,26)(H,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7207 (3-(pyridin-2-yl)-3,4,10,11-tetraazatricyclo[7.3.0....) Show SMILES NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccccn1 Show InChI InChI=1S/C14H12N6O/c15-14(21)12-8-4-5-10-9(7-17-18-10)13(8)20(19-12)11-3-1-2-6-16-11/h1-3,6-7H,4-5H2,(H2,15,21)(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7188 (3-(4-fluorophenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1ccc(F)cc1 Show InChI InChI=1S/C15H12FN5O/c16-8-1-3-9(4-2-8)21-14-10(13(20-21)15(17)22)5-6-12-11(14)7-18-19-12/h1-4,7H,5-6H2,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7213 (3-methyl-3,4,10,11-tetraazatricyclo[7.3.0.0^{2,6}]...) Show SMILES Cn1nc(C(N)=O)c2CCc3[nH]ncc3-c12 Show InChI InChI=1S/C10H11N5O/c1-15-9-5(8(14-15)10(11)16)2-3-7-6(9)4-12-13-7/h4H,2-3H2,1H3,(H2,11,16)(H,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7228 (N'-hydroxy-3-(4-methoxyphenyl)-3,4,10,11-tetraazat...) Show SMILES COc1ccc(cc1)-n1nc(C(=N)NO)c2ccc3n[nH]cc3c12 Show InChI InChI=1S/C16H14N6O2/c1-24-10-4-2-9(3-5-10)22-15-11(14(20-22)16(17)21-23)6-7-13-12(15)8-18-19-13/h2-8,23H,1H3,(H2,17,21)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7203 (3-(3-chlorophenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1cccc(Cl)c1 Show InChI InChI=1S/C15H12ClN5O/c16-8-2-1-3-9(6-8)21-14-10(13(20-21)15(17)22)4-5-12-11(14)7-18-19-12/h1-3,6-7H,4-5H2,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7205 (3-(3-fluorophenyl)-3,4,10,11-tetraazatricyclo[7.3....) Show SMILES NC(=O)c1nn(c-2c1CCc1[nH]ncc-21)-c1cccc(F)c1 Show InChI InChI=1S/C15H12FN5O/c16-8-2-1-3-9(6-8)21-14-10(13(20-21)15(17)22)4-5-12-11(14)7-18-19-12/h1-3,6-7H,4-5H2,(H2,17,22)(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7178 (3,4,10,11-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(...) Show SMILES NC(=O)c1[nH]nc-2c1CCc1[nH]ncc-21 Show InChI InChI=1S/C9H9N5O/c10-9(15)8-4-1-2-6-5(3-11-12-6)7(4)13-14-8/h3H,1-2H2,(H2,10,15)(H,11,12)(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	7.4	22
Nerviano Medical Sciences					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				Bioorg Med Chem Lett 15: 1315-9 (2005) Article DOI: 10.1016/j.bmcl.2005.01.023 BindingDB Entry DOI: 10.7270/Q2N58JKH
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 72 total )  |  Next  |  Last  >>

Jump to: