Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with all data for entry = 726   

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-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5487 (6-(cyclohex-3-en-1-ylmethoxy)-9H-purin-2-amine | C...) Show SMILES Nc1nc(OCC2CCC=CC2)c2[nH]cnc2n1 |c:9| Show InChI InChI=1S/C12H15N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2,(H3,13,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5485 (6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...) Show SMILES Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5486 (6-(cyclohex-1-en-1-ylmethoxy)-9H-purin-2-amine | C...) Show SMILES Nc1nc(OCC2=CCCCC2)c2[nH]cnc2n1 |t:6| Show InChI InChI=1S/C12H15N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h4,7H,1-3,5-6H2,(H3,13,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5478 (6-(3-methyl-2-methylidenebutoxy)-9H-purin-2-amine ...) Show SMILES CC(C)C(=C)COc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C11H15N5O/c1-6(2)7(3)4-17-10-8-9(14-5-13-8)15-11(12)16-10/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5483 (6-(cyclopentylmethoxy)-9H-purin-2-amine | CHEMBL27...) Show SMILES Nc1nc(OCC2CCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C11H15N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h6-7H,1-5H2,(H3,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5468 (2-Amino-6-(2 -methyl)butyloxypurine | 6-(2-methylb...) Show SMILES CCC(C)COc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C10H15N5O/c1-3-6(2)4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)	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	1.50E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5487 (6-(cyclohex-3-en-1-ylmethoxy)-9H-purin-2-amine | C...) Show SMILES Nc1nc(OCC2CCC=CC2)c2[nH]cnc2n1 |c:9| Show InChI InChI=1S/C12H15N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2,(H3,13,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5478 (6-(3-methyl-2-methylidenebutoxy)-9H-purin-2-amine ...) Show SMILES CC(C)C(=C)COc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C11H15N5O/c1-6(2)7(3)4-17-10-8-9(14-5-13-8)15-11(12)16-10/h5-6H,3-4H2,1-2H3,(H3,12,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5468 (2-Amino-6-(2 -methyl)butyloxypurine | 6-(2-methylb...) Show SMILES CCC(C)COc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C10H15N5O/c1-3-6(2)4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5485 (6-(cyclohexylmethoxy)-9H-purin-2-amine | CHEMBL269...) Show SMILES Nc1nc(OCC2CCCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5502 (6-(2,2-dimethoxybutoxy)-9H-purin-2-amine | CHEMBL4...) Show SMILES CCC(COc1nc(N)nc2nc[nH]c12)(OC)OC Show InChI InChI=1S/C11H17N5O3/c1-4-11(17-2,18-3)5-19-9-7-8(14-6-13-7)15-10(12)16-9/h6H,4-5H2,1-3H3,(H3,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5477 (6-(2-methylidenebutoxy)-9H-purin-2-amine | CHEMBL2...) Show SMILES CCC(=C)COc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C10H13N5O/c1-3-6(2)4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5H,2-4H2,1H3,(H3,11,12,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5484 (6-(cyclopent-1-en-1-ylmethoxy)-9H-purin-2-amine | ...) Show SMILES Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6| Show InChI InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5502 (6-(2,2-dimethoxybutoxy)-9H-purin-2-amine | CHEMBL4...) Show SMILES CCC(COc1nc(N)nc2nc[nH]c12)(OC)OC Show InChI InChI=1S/C11H17N5O3/c1-4-11(17-2,18-3)5-19-9-7-8(14-6-13-7)15-10(12)16-9/h6H,4-5H2,1-3H3,(H3,12,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5469 (6-(3-methylbutoxy)-9H-purin-2-amine | CHEMBL269872...) Show SMILES CC(C)CCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C10H15N5O/c1-6(2)3-4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5483 (6-(cyclopentylmethoxy)-9H-purin-2-amine | CHEMBL27...) Show SMILES Nc1nc(OCC2CCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C11H15N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h6-7H,1-5H2,(H3,12,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5477 (6-(2-methylidenebutoxy)-9H-purin-2-amine | CHEMBL2...) Show SMILES CCC(=C)COc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C10H13N5O/c1-3-6(2)4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5H,2-4H2,1H3,(H3,11,12,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5486 (6-(cyclohex-1-en-1-ylmethoxy)-9H-purin-2-amine | C...) Show SMILES Nc1nc(OCC2=CCCCC2)c2[nH]cnc2n1 |t:6| Show InChI InChI=1S/C12H15N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h4,7H,1-3,5-6H2,(H3,13,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5491 (6-(benzyloxy)-9H-purin-2-amine | CHEMBL407874 | O6...) Show SMILES Nc1nc(OCc2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5479 (6-[(2-phenylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...) Show SMILES Nc1nc(OCC(=C)c2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C14H13N5O/c1-9(10-5-3-2-4-6-10)7-20-13-11-12(17-8-16-11)18-14(15)19-13/h2-6,8H,1,7H2,(H3,15,16,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5466 (2-Amino-6-(1¢-methyl)propyloxypurine | 6-(butan-2...) Show SMILES CCC(C)Oc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C9H13N5O/c1-3-5(2)15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5469 (6-(3-methylbutoxy)-9H-purin-2-amine | CHEMBL269872...) Show SMILES CC(C)CCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C10H15N5O/c1-6(2)3-4-16-9-7-8(13-5-12-7)14-10(11)15-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5466 (2-Amino-6-(1¢-methyl)propyloxypurine | 6-(butan-2...) Show SMILES CCC(C)Oc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C9H13N5O/c1-3-5(2)15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5484 (6-(cyclopent-1-en-1-ylmethoxy)-9H-purin-2-amine | ...) Show SMILES Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1 |t:6| Show InChI InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5476 (6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...) Show SMILES CC(=C)COc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C9H11N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4H,1,3H2,2H3,(H3,10,11,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5462 (6-butoxy-9H-purin-2-amine | CHEMBL270946 | O6-Subs...) Show SMILES CCCCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C9H13N5O/c1-2-3-4-15-8-6-7(12-5-11-6)13-9(10)14-8/h5H,2-4H2,1H3,(H3,10,11,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5501 (6-(2,2-diethoxypropoxy)-9H-purin-2-amine | CHEMBL4...) Show SMILES CCOC(C)(COc1nc(N)nc2nc[nH]c12)OCC Show InChI InChI=1S/C12H19N5O3/c1-4-19-12(3,20-5-2)6-18-10-8-9(15-7-14-8)16-11(13)17-10/h7H,4-6H2,1-3H3,(H3,13,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5479 (6-[(2-phenylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...) Show SMILES Nc1nc(OCC(=C)c2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C14H13N5O/c1-9(10-5-3-2-4-6-10)7-20-13-11-12(17-8-16-11)18-14(15)19-13/h2-6,8H,1,7H2,(H3,15,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5476 (6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine |...) Show SMILES CC(=C)COc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C9H11N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4H,1,3H2,2H3,(H3,10,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5491 (6-(benzyloxy)-9H-purin-2-amine | CHEMBL407874 | O6...) Show SMILES Nc1nc(OCc2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5501 (6-(2,2-diethoxypropoxy)-9H-purin-2-amine | CHEMBL4...) Show SMILES CCOC(C)(COc1nc(N)nc2nc[nH]c12)OCC Show InChI InChI=1S/C12H19N5O3/c1-4-19-12(3,20-5-2)6-18-10-8-9(15-7-14-8)16-11(13)17-10/h7H,4-6H2,1-3H3,(H3,13,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5490 (2-Amino-6-(2-cyclohexyl)ethoxypurine | 6-(2-cycloh...) Show SMILES Nc1nc(OCCC2CCCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C13H19N5O/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H3,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5463 (6-(pentyloxy)-9H-purin-2-amine | CHEMBL406495 | O6...) Show SMILES CCCCCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C10H15N5O/c1-2-3-4-5-16-9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5507 (6-{[2-(propan-2-yl)-1,3-dioxolan-2-yl]methoxy}-9H-...) Show SMILES CC(C)C1(COc2nc(N)nc3nc[nH]c23)OCCO1 Show InChI InChI=1S/C12H17N5O3/c1-7(2)12(19-3-4-20-12)5-18-10-8-9(15-6-14-8)16-11(13)17-10/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5473 (6-(hex-5-en-1-yloxy)-9H-purin-2-amine | O6-Substit...) Show SMILES Nc1nc(OCCCCC=C)c2[nH]cnc2n1 Show InChI InChI=1S/C11H15N5O/c1-2-3-4-5-6-17-10-8-9(14-7-13-8)15-11(12)16-10/h2,7H,1,3-6H2,(H3,12,13,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5467 (2-Amino-6-(2¿¿¿¿-methyl)propyloxypurine | 2-Amino-...) Show SMILES CC(C)COc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C9H13N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14)	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+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5490 (2-Amino-6-(2-cyclohexyl)ethoxypurine | 6-(2-cycloh...) Show SMILES Nc1nc(OCCC2CCCCC2)c2[nH]cnc2n1 Show InChI InChI=1S/C13H19N5O/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H3,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5467 (2-Amino-6-(2¿¿¿¿-methyl)propyloxypurine | 2-Amino-...) Show SMILES CC(C)COc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C9H13N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4-5H,3H2,1-2H3,(H3,10,11,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5473 (6-(hex-5-en-1-yloxy)-9H-purin-2-amine | O6-Substit...) Show SMILES Nc1nc(OCCCCC=C)c2[nH]cnc2n1 Show InChI InChI=1S/C11H15N5O/c1-2-3-4-5-6-17-10-8-9(14-7-13-8)15-11(12)16-10/h2,7H,1,3-6H2,(H3,12,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5462 (6-butoxy-9H-purin-2-amine | CHEMBL270946 | O6-Subs...) Show SMILES CCCCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C9H13N5O/c1-2-3-4-15-8-6-7(12-5-11-6)13-9(10)14-8/h5H,2-4H2,1H3,(H3,10,11,12,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5463 (6-(pentyloxy)-9H-purin-2-amine | CHEMBL406495 | O6...) Show SMILES CCCCCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C10H15N5O/c1-2-3-4-5-16-9-7-8(13-6-12-7)14-10(11)15-9/h6H,2-5H2,1H3,(H3,11,12,13,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5496 (6-(2-phenylethoxy)-9H-purin-2-amine | CHEMBL446625...) Show SMILES Nc1nc(OCCc2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C13H13N5O/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5464 (6-(heptyloxy)-9H-purin-2-amine | CHEMBL270945 | O6...) Show SMILES CCCCCCCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C12H19N5O/c1-2-3-4-5-6-7-18-11-9-10(15-8-14-9)16-12(13)17-11/h8H,2-7H2,1H3,(H3,13,14,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5496 (6-(2-phenylethoxy)-9H-purin-2-amine | CHEMBL446625...) Show SMILES Nc1nc(OCCc2ccccc2)c2[nH]cnc2n1 Show InChI InChI=1S/C13H13N5O/c14-13-17-11-10(15-8-16-11)12(18-13)19-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H3,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5507 (6-{[2-(propan-2-yl)-1,3-dioxolan-2-yl]methoxy}-9H-...) Show SMILES CC(C)C1(COc2nc(N)nc3nc[nH]c23)OCCO1 Show InChI InChI=1S/C12H17N5O3/c1-7(2)12(19-3-4-20-12)5-18-10-8-9(15-6-14-8)16-11(13)17-10/h6-7H,3-5H2,1-2H3,(H3,13,14,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5461 (6-propoxy-9H-purin-2-amine | CHEMBL272692 | O6-Sub...) Show SMILES CCCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C8H11N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h4H,2-3H2,1H3,(H3,9,10,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5475 (6-(prop-2-en-1-yloxy)-9H-purin-2-amine | CHEMBL325...) Show SMILES Nc1nc(OCC=C)c2[nH]cnc2n1 Show InChI InChI=1S/C8H9N5O/c1-2-3-14-7-5-6(11-4-10-5)12-8(9)13-7/h2,4H,1,3H2,(H3,9,10,11,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5474 (6-[(3E)-hex-3-en-1-yloxy]-9H-purin-2-amine | O6-Su...) Show SMILES CC\C=C\CCOc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C11H15N5O/c1-2-3-4-5-6-17-10-8-9(14-7-13-8)15-11(12)16-10/h3-4,7H,2,5-6H2,1H3,(H3,12,13,14,15,16)/b4-3+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-A2 [171-432]/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM5465 (2-Amino-6-prop-2-yloxypurine | 6-(propan-2-yloxy)-...) Show SMILES CC(C)Oc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C8H11N5O/c1-4(2)14-7-5-6(11-3-10-5)12-8(9)13-7/h3-4H,1-2H3,(H3,9,10,11,12,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5465 (2-Amino-6-prop-2-yloxypurine | 6-(propan-2-yloxy)-...) Show SMILES CC(C)Oc1nc(N)nc2nc[nH]c12 Show InChI InChI=1S/C8H11N5O/c1-4(2)14-7-5-6(11-3-10-5)12-8(9)13-7/h3-4H,1-2H3,(H3,9,10,11,12,13)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.50E+4	n/a	n/a	n/a	n/a	7.5	30
University of Newcastle					Assay Description The enzyme was assayed with substrate histone H1 in the presence of 12.5 uM ATP/[gamma-32P] ATP. IC50 is the inhibitor concentration, which inhibits ...				J Med Chem 45: 3381-93 (2002) Article DOI: 10.1021/jm020056z BindingDB Entry DOI: 10.7270/Q2891424
					More data for this Ligand-Target Pair

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