Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 1551   

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))	BDBM12095 (3-(2-phenylacetamido)-1H,4H,5H,6H-pyrrolo[3,4-c]py...) Show SMILES NC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1 Show InChI InChI=1S/C14H15N5O2/c15-14(21)19-7-10-11(8-19)17-18-13(10)16-12(20)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,15,21)(H2,16,17,18,20)	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	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12097 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1 Show InChI InChI=1S/C22H30N6O2/c1-2-3-10-23-22(30)28-14-18-19(15-28)25-26-21(18)24-20(29)13-16-6-8-17(9-7-16)27-11-4-5-12-27/h6-9H,2-5,10-15H2,1H3,(H,23,30)(H2,24,25,26,29)	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	33	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12100 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r| Show InChI InChI=1S/C23H27N5O2/c1-3-4-11-24-23(30)28-13-19-20(14-28)26-27-21(19)25-22(29)15(2)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,30)(H2,25,26,27,29)/t15-/m0/s1	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	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12098 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1 Show InChI InChI=1S/C22H25N5O2/c1-2-3-10-23-22(29)27-13-18-19(14-27)25-26-21(18)24-20(28)12-15-8-9-16-6-4-5-7-17(16)11-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,29)(H2,24,25,26,28)	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	45	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12099 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3=O)c2C1 Show InChI InChI=1S/C22H28N6O3/c1-2-3-10-23-22(31)27-13-17-18(14-27)25-26-21(17)24-19(29)12-15-6-8-16(9-7-15)28-11-4-5-20(28)30/h6-9H,2-5,10-14H2,1H3,(H,23,31)(H2,24,25,26,29)	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	51	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12096 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3F)c2C1 Show InChI InChI=1S/C18H22FN5O2/c1-2-3-8-20-18(26)24-10-13-15(11-24)22-23-17(13)21-16(25)9-12-6-4-5-7-14(12)19/h4-7H,2-3,8-11H2,1H3,(H,20,26)(H2,21,22,23,25)	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	51	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM12100 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r| Show InChI InChI=1S/C23H27N5O2/c1-3-4-11-24-23(30)28-13-19-20(14-28)26-27-21(19)25-22(29)15(2)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,30)(H2,25,26,27,29)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM12097 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1 Show InChI InChI=1S/C22H30N6O2/c1-2-3-10-23-22(30)28-14-18-19(15-28)25-26-21(18)24-20(29)13-16-6-8-17(9-7-16)27-11-4-5-12-27/h6-9H,2-5,10-15H2,1H3,(H,23,30)(H2,24,25,26,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12092 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CC(C)NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1 Show InChI InChI=1S/C17H19N5O4/c1-9(2)18-17(24)22-6-11-12(7-22)20-21-15(11)19-16(23)10-3-4-13-14(5-10)26-8-25-13/h3-5,9H,6-8H2,1-2H3,(H,18,24)(H2,19,20,21,23)	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	120	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM12100 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r| Show InChI InChI=1S/C23H27N5O2/c1-3-4-11-24-23(30)28-13-19-20(14-28)26-27-21(19)25-22(29)15(2)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,30)(H2,25,26,27,29)/t15-/m0/s1	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12091 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 9...) Show SMILES CC(C)C(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1 Show InChI InChI=1S/C17H18N4O4/c1-9(2)17(23)21-6-11-12(7-21)19-20-15(11)18-16(22)10-3-4-13-14(5-10)25-8-24-13/h3-5,9H,6-8H2,1-2H3,(H2,18,19,20,22)	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	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM12097 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1 Show InChI InChI=1S/C22H30N6O2/c1-2-3-10-23-22(30)28-14-18-19(15-28)25-26-21(18)24-20(29)13-16-6-8-17(9-7-16)27-11-4-5-12-27/h6-9H,2-5,10-15H2,1H3,(H,23,30)(H2,24,25,26,29)	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	280	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12092 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CC(C)NC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1 Show InChI InChI=1S/C17H19N5O4/c1-9(2)18-17(24)22-6-11-12(7-22)20-21-15(11)19-16(23)10-3-4-13-14(5-10)26-8-25-13/h3-5,9H,6-8H2,1-2H3,(H,18,24)(H2,19,20,21,23)	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	390	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM12097 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1 Show InChI InChI=1S/C22H30N6O2/c1-2-3-10-23-22(30)28-14-18-19(15-28)25-26-21(18)24-20(29)13-16-6-8-17(9-7-16)27-11-4-5-12-27/h6-9H,2-5,10-15H2,1H3,(H,23,30)(H2,24,25,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12091 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 9...) Show SMILES CC(C)C(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1 Show InChI InChI=1S/C17H18N4O4/c1-9(2)17(23)21-6-11-12(7-21)19-20-15(11)18-16(22)10-3-4-13-14(5-10)25-8-24-13/h3-5,9H,6-8H2,1-2H3,(H2,18,19,20,22)	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	430	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12093 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1 Show InChI InChI=1S/C15H16N4O2/c1-10(20)19-8-12-13(9-19)17-18-15(12)16-14(21)7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,16,17,18,21)	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	440	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12090 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 8...) Show SMILES Cc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1cccc2cccnc12 Show InChI InChI=1S/C23H19N5O2/c1-14-7-9-16(10-8-14)22(29)25-21-18-12-28(13-19(18)26-27-21)23(30)17-6-2-4-15-5-3-11-24-20(15)17/h2-11H,12-13H2,1H3,(H2,25,26,27,29)	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	440	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12086 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 4...) Show SMILES COc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(C)=O Show InChI InChI=1S/C15H16N4O3/c1-9(20)19-7-12-13(8-19)17-18-14(12)16-15(21)10-3-5-11(22-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,16,17,18,21)	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	660	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12094 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES O=C(Cc1ccccc1)Nc1[nH]nc2CN(Cc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O2/c26-18(11-14-7-3-1-4-8-14)22-19-16-12-25(13-17(16)23-24-19)20(27)21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,27)(H2,22,23,24,26)	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	730	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1 (Homo sapiens (Human))	BDBM12100 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r| Show InChI InChI=1S/C23H27N5O2/c1-3-4-11-24-23(30)28-13-19-20(14-28)26-27-21(19)25-22(29)15(2)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,30)(H2,25,26,27,29)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12090 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 8...) Show SMILES Cc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(=O)c1cccc2cccnc12 Show InChI InChI=1S/C23H19N5O2/c1-14-7-9-16(10-8-14)22(29)25-21-18-12-28(13-19(18)26-27-21)23(30)17-6-2-4-15-5-3-11-24-20(15)17/h2-11H,12-13H2,1H3,(H2,25,26,27,29)	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	1.05E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12084 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 2...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(C)cc3)c2C1 Show InChI InChI=1S/C15H16N4O2/c1-9-3-5-11(6-4-9)15(21)16-14-12-7-19(10(2)20)8-13(12)17-18-14/h3-6H,7-8H2,1-2H3,(H2,16,17,18,21)	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	1.08E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12083 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3ccccc3)c2C1 Show InChI InChI=1S/C14H14N4O2/c1-9(19)18-7-11-12(8-18)16-17-13(11)15-14(20)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,15,16,17,20)	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	1.15E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12086 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 4...) Show SMILES COc1ccc(cc1)C(=O)Nc1[nH]nc2CN(Cc12)C(C)=O Show InChI InChI=1S/C15H16N4O3/c1-9(20)19-7-12-13(8-19)17-18-14(12)16-15(21)10-3-5-11(22-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,16,17,18,21)	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	1.37E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12087 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 5...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)C#N)c2C1 Show InChI InChI=1S/C15H13N5O2/c1-9(21)20-7-12-13(8-20)18-19-14(12)17-15(22)11-4-2-10(6-16)3-5-11/h2-5H,7-8H2,1H3,(H2,17,18,19,22)	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	1.59E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12088 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 6...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3cccc(F)c3)c2C1 Show InChI InChI=1S/C14H13FN4O2/c1-8(20)19-6-11-12(7-19)17-18-13(11)16-14(21)9-3-2-4-10(15)5-9/h2-5H,6-7H2,1H3,(H2,16,17,18,21)	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	2.11E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12084 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 2...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(C)cc3)c2C1 Show InChI InChI=1S/C15H16N4O2/c1-9-3-5-11(6-4-9)15(21)16-14-12-7-19(10(2)20)8-13(12)17-18-14/h3-6H,7-8H2,1-2H3,(H2,16,17,18,21)	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	2.14E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12093 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1 Show InChI InChI=1S/C15H16N4O2/c1-10(20)19-8-12-13(9-19)17-18-15(12)16-14(21)7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,16,17,18,21)	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	2.31E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12085 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 3...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(F)cc3)c2C1 Show InChI InChI=1S/C14H13FN4O2/c1-8(20)19-6-11-12(7-19)17-18-13(11)16-14(21)9-2-4-10(15)5-3-9/h2-5H,6-7H2,1H3,(H2,16,17,18,21)	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	2.54E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM12089 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 7...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1 Show InChI InChI=1S/C15H14N4O4/c1-8(20)19-5-10-11(6-19)17-18-14(10)16-15(21)9-2-3-12-13(4-9)23-7-22-12/h2-4H,5-7H2,1H3,(H2,16,17,18,21)	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	2.76E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12083 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3ccccc3)c2C1 Show InChI InChI=1S/C14H14N4O2/c1-9(19)18-7-11-12(8-18)16-17-13(11)15-14(20)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,15,16,17,20)	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	3.11E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12097 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1 Show InChI InChI=1S/C22H30N6O2/c1-2-3-10-23-22(30)28-14-18-19(15-28)25-26-21(18)24-20(29)13-16-6-8-17(9-7-16)27-11-4-5-12-27/h6-9H,2-5,10-15H2,1H3,(H,23,30)(H2,24,25,26,29)	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	4.20E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12088 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 6...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3cccc(F)c3)c2C1 Show InChI InChI=1S/C14H13FN4O2/c1-8(20)19-6-11-12(7-19)17-18-13(11)16-14(21)9-3-2-4-10(15)5-9/h2-5H,6-7H2,1H3,(H2,16,17,18,21)	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	4.85E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12087 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 5...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(cc3)C#N)c2C1 Show InChI InChI=1S/C15H13N5O2/c1-9(21)20-7-12-13(8-20)18-19-14(12)17-15(22)11-4-2-10(6-16)3-5-11/h2-5H,7-8H2,1H3,(H2,17,18,19,22)	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	8.50E+3	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12099 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3=O)c2C1 Show InChI InChI=1S/C22H28N6O3/c1-2-3-10-23-22(31)27-13-17-18(14-27)25-26-21(17)24-19(29)12-15-6-8-16(9-7-15)28-11-4-5-20(28)30/h6-9H,2-5,10-14H2,1H3,(H,23,31)(H2,24,25,26,29)	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	>1.00E+4	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12098 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc4ccccc4c3)c2C1 Show InChI InChI=1S/C22H25N5O2/c1-2-3-10-23-22(29)27-13-18-19(14-27)25-26-21(18)24-20(28)12-15-8-9-16-6-4-5-7-17(16)11-15/h4-9,11H,2-3,10,12-14H2,1H3,(H,23,29)(H2,24,25,26,28)	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	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12096 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3F)c2C1 Show InChI InChI=1S/C18H22FN5O2/c1-2-3-8-20-18(26)24-10-13-15(11-24)22-23-17(13)21-16(25)9-12-6-4-5-7-14(12)19/h4-7H,2-3,8-11H2,1H3,(H,20,26)(H2,21,22,23,25)	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	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12095 (3-(2-phenylacetamido)-1H,4H,5H,6H-pyrrolo[3,4-c]py...) Show SMILES NC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1 Show InChI InChI=1S/C14H15N5O2/c15-14(21)19-7-10-11(8-19)17-18-13(10)16-12(20)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,15,21)(H2,16,17,18,20)	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	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12094 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES O=C(Cc1ccccc1)Nc1[nH]nc2CN(Cc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H19N5O2/c26-18(11-14-7-3-1-4-8-14)22-19-16-12-25(13-17(16)23-24-19)20(27)21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,27)(H2,22,23,24,26)	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	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12100 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r| Show InChI InChI=1S/C23H27N5O2/c1-3-4-11-24-23(30)28-13-19-20(14-28)26-27-21(19)25-22(29)15(2)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,30)(H2,25,26,27,29)/t15-/m0/s1	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	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM12097 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccc(cc3)N3CCCC3)c2C1 Show InChI InChI=1S/C22H30N6O2/c1-2-3-10-23-22(30)28-14-18-19(15-28)25-26-21(18)24-20(29)13-16-6-8-17(9-7-16)27-11-4-5-12-27/h6-9H,2-5,10-15H2,1H3,(H,23,30)(H2,24,25,26,29)	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	>1.00E+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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12085 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 3...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc(F)cc3)c2C1 Show InChI InChI=1S/C14H13FN4O2/c1-8(20)19-6-11-12(7-19)17-18-13(11)16-14(21)9-2-4-10(15)5-3-9/h2-5H,6-7H2,1H3,(H2,16,17,18,21)	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	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1 (Homo sapiens (Human))	BDBM12100 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 1...) Show SMILES CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1 |r| Show InChI InChI=1S/C23H27N5O2/c1-3-4-11-24-23(30)28-13-19-20(14-28)26-27-21(19)25-22(29)15(2)17-10-9-16-7-5-6-8-18(16)12-17/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,24,30)(H2,25,26,27,29)/t15-/m0/s1	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	>1.00E+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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM12089 (3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole 7...) Show SMILES CC(=O)N1Cc2n[nH]c(NC(=O)c3ccc4OCOc4c3)c2C1 Show InChI InChI=1S/C15H14N4O4/c1-8(20)19-5-10-11(6-19)17-18-14(10)16-15(21)9-2-3-12-13(4-9)23-7-22-12/h2-4H,5-7H2,1H3,(H2,16,17,18,21)	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	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 16: 1084-90 (2006) Article DOI: 10.1016/j.bmcl.2005.10.071 BindingDB Entry DOI: 10.7270/Q2PZ5725
					More data for this Ligand-Target Pair