Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 1282   

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))	BDBM10642 (2-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...) Show SMILES CC(C)C(CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H28N6O2/c1-12(2)15(10-27)23-20-24-18(21-9-14-7-5-6-8-16(14)28)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,15,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10635 (3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...) Show SMILES CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM10635 (3-[({2-[(1-hydroxy-3-methylbutan-2-yl)amino]-9-(pr...) Show SMILES CC(C)C(CO)Nc1nc(NCc2cccc(O)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C20H28N6O2/c1-12(2)16(10-27)23-20-24-18(21-9-14-6-5-7-15(28)8-14)17-19(25-20)26(11-22-17)13(3)4/h5-8,11-13,16,27-28H,9-10H2,1-4H3,(H2,21,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10634 ((2R)-1-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...) Show SMILES C[C@@H](O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C18H24N6O/c1-12(2)24-11-21-15-16(19-10-14-7-5-4-6-8-14)22-18(23-17(15)24)20-9-13(3)25/h4-8,11-13,25H,9-10H2,1-3H3,(H2,19,20,22,23)/t13-/m1/s1	PDB UniProtKB/SwissProt 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	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10633 (3-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12 Show InChI InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10638 (3-{[6-(cyclopentylamino)-9-(propan-2-yl)-9H-purin-...) Show SMILES CC(C)n1cnc2c(NC3CCCC3)nc(NCCCO)nc12 Show InChI InChI=1S/C16H26N6O/c1-11(2)22-10-18-13-14(19-12-6-3-4-7-12)20-16(21-15(13)22)17-8-5-9-23/h10-12,23H,3-9H2,1-2H3,(H2,17,19,20,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM10634 ((2R)-1-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-...) Show SMILES C[C@@H](O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C18H24N6O/c1-12(2)24-11-21-15-16(19-10-14-7-5-4-6-8-14)22-18(23-17(15)24)20-9-13(3)25/h4-8,11-13,25H,9-10H2,1-3H3,(H2,19,20,22,23)/t13-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM5718 (2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...) Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10639 (3-[(6-amino-9-isopropyl-9H-purin-2-yl)amino]propan...) Show SMILES CC(C)n1cnc2c(N)nc(NCCCO)nc12 Show InChI InChI=1S/C11H18N6O/c1-7(2)17-6-14-8-9(12)15-11(16-10(8)17)13-4-3-5-18/h6-7,18H,3-5H2,1-2H3,(H3,12,13,15,16)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM10638 (3-{[6-(cyclopentylamino)-9-(propan-2-yl)-9H-purin-...) Show SMILES CC(C)n1cnc2c(NC3CCCC3)nc(NCCCO)nc12 Show InChI InChI=1S/C16H26N6O/c1-11(2)22-10-18-13-14(19-12-6-3-4-7-12)20-16(21-15(13)22)17-8-5-9-23/h10-12,23H,3-9H2,1-2H3,(H2,17,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM10633 (3-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCCCO)nc12 Show InChI InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM10641 (6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C15H17N5/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10641 (6-(benzylamino)-9-isopropylpurine | CHEMBL85015 | ...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)ncnc12 Show InChI InChI=1S/C15H17N5/c1-11(2)20-10-19-13-14(17-9-18-15(13)20)16-8-12-6-4-3-5-7-12/h3-7,9-11H,8H2,1-2H3,(H,16,17,18)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM5718 (2,6,9-Trisubstituted purine deriv. 26 | 2-{[6-(ben...) Show SMILES Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12 Show InChI InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10636 (2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12 Show InChI InChI=1S/C17H22N6O/c1-12(2)23-11-20-14-15(19-10-13-6-4-3-5-7-13)21-17(18-8-9-24)22-16(14)23/h3-7,11-12,24H,8-10H2,1-2H3,(H2,18,19,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM10636 (2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]...) Show SMILES CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12 Show InChI InChI=1S/C17H22N6O/c1-12(2)23-11-20-14-15(19-10-13-6-4-3-5-7-13)21-17(18-8-9-24)22-16(14)23/h3-7,11-12,24H,8-10H2,1-2H3,(H2,18,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.40E+3	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM10639 (3-[(6-amino-9-isopropyl-9H-purin-2-yl)amino]propan...) Show SMILES CC(C)n1cnc2c(N)nc(NCCCO)nc12 Show InChI InChI=1S/C11H18N6O/c1-7(2)17-6-14-8-9(12)15-11(16-10(8)17)13-4-3-5-18/h6-7,18H,3-5H2,1-2H3,(H3,12,13,15,16)	PDB UniProtKB/SwissProt 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	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM10640 (3-{[6-(1-adamantylamino)-9-isopropyl-9H-purin-2-yl...) Show SMILES CC(C)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)nc(NCCCO)nc12 |TLB:18:9:16:13.12.14,THB:14:15:10:13.12.18,14:13:10:15.17.16,18:13:9.10.17:16| Show InChI InChI=1S/C21H32N6O/c1-13(2)27-12-23-17-18(24-20(25-19(17)27)22-4-3-5-28)26-21-9-14-6-15(10-21)8-16(7-14)11-21/h12-16,28H,3-11H2,1-2H3,(H2,22,24,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM10640 (3-{[6-(1-adamantylamino)-9-isopropyl-9H-purin-2-yl...) Show SMILES CC(C)n1cnc2c(NC34CC5CC(CC(C5)C3)C4)nc(NCCCO)nc12 |TLB:18:9:16:13.12.14,THB:14:15:10:13.12.18,14:13:10:15.17.16,18:13:9.10.17:16| Show InChI InChI=1S/C21H32N6O/c1-13(2)27-12-23-17-18(24-20(25-19(17)27)22-4-3-5-28)26-21-9-14-6-15(10-21)8-16(7-14)11-21/h12-16,28H,3-11H2,1-2H3,(H2,22,24,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	30
Palacky University					Assay Description Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/[gamma-32P] ATP. 32P...				J Med Chem 43: 2506-13 (2000) Article DOI: 10.1021/jm990506w BindingDB Entry DOI: 10.7270/Q2CZ35D8
					More data for this Ligand-Target Pair