Compile Data Set for Download or QSAR

Found 278 hits with Last Name = 'lemcke' and Initial = 't'   

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 (Homo sapiens (Human))	BDBM84533 (Alsterpaullone derivative, 7 | BDBM50375663) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1 Show InChI InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM84533 (Alsterpaullone derivative, 7 | BDBM50375663) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1 Show InChI InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM84530 (Alsterpaullone derivative, 4) Show SMILES NCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H18N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,7,10,20H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM7262 (14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM84529 (Alsterpaullone derivative, 3) Show SMILES NCCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C20H20N4O3/c21-8-2-1-3-12-4-6-18-16(9-12)20-15(11-19(25)22-18)14-10-13(24(26)27)5-7-17(14)23-20/h4-7,9-10,23H,1-3,8,11,21H2,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM84531 (Alsterpaullone derivative, 5) Show SMILES OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H15N3O5/c23-17-9-13-12-8-11(22(26)27)3-5-15(12)21-19(13)14-7-10(2-6-18(24)25)1-4-16(14)20-17/h1,3-5,7-8,21H,2,6,9H2,(H,20,23)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7492 (3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...) Show SMILES Ic1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,13,18H,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.5	30
Technische Universitat Braunschweig					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. 32...				Bioorg Med Chem Lett 14: 413-6 (2004) Article DOI: 10.1016/j.bmcl.2003.10.062 BindingDB Entry DOI: 10.7270/Q2BR8QDD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7491 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	30
Technische Universitat Braunschweig					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. 32...				Bioorg Med Chem Lett 14: 413-6 (2004) Article DOI: 10.1016/j.bmcl.2003.10.062 BindingDB Entry DOI: 10.7270/Q2BR8QDD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7322 (14-bromo-5-hydroxy-8,18-diazatetracyclo[9.7.0.0^{2...) Show SMILES Oc1ccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc2c1 Show InChI InChI=1S/C16H11BrN2O2/c17-8-1-4-13-11(5-8)12-7-15(21)18-14-6-9(20)2-3-10(14)16(12)19-13/h1-6,19-20H,7H2,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7497 (1-Azakenpaullone | 14-bromo-3,8,18-triazatetracycl...) Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4cccnc-34)c2c1 Show InChI InChI=1S/C15H10BrN3O/c16-8-3-4-11-9(6-8)10-7-13(20)18-12-2-1-5-17-15(12)14(10)19-11/h1-6,19H,7H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.5	30
Technische Universitat Braunschweig					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. 32...				Bioorg Med Chem Lett 14: 413-6 (2004) Article DOI: 10.1016/j.bmcl.2003.10.062 BindingDB Entry DOI: 10.7270/Q2BR8QDD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7492 (3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...) Show SMILES Ic1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,13,18H,(H,19,21)	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	20	n/a	n/a	n/a	n/a	7.2	30
Technische Universitat Braunschweig					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. 32...				Bioorg Med Chem Lett 14: 413-6 (2004) Article DOI: 10.1016/j.bmcl.2003.10.062 BindingDB Entry DOI: 10.7270/Q2BR8QDD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7330 (2-Methoxy-9-nitro-7,12-dihydro-indolo[3,2-d][1]ben...) Show SMILES COc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C17H13N3O4/c1-24-10-3-5-15-13(7-10)17-12(8-16(21)18-15)11-6-9(20(22)23)2-4-14(11)19-17/h2-7,19H,8H2,1H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7491 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.2	30
Technische Universitat Braunschweig					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. 32...				Bioorg Med Chem Lett 14: 413-6 (2004) Article DOI: 10.1016/j.bmcl.2003.10.062 BindingDB Entry DOI: 10.7270/Q2BR8QDD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM84530 (Alsterpaullone derivative, 4) Show SMILES NCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H18N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,7,10,20H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7266 (14-bromo-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...) Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	7.5	30
Technische Universitat Braunschweig					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. 32...				Bioorg Med Chem Lett 14: 413-6 (2004) Article DOI: 10.1016/j.bmcl.2003.10.062 BindingDB Entry DOI: 10.7270/Q2BR8QDD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM84531 (Alsterpaullone derivative, 5) Show SMILES OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H15N3O5/c23-17-9-13-12-8-11(22(26)27)3-5-15(12)21-19(13)14-7-10(2-6-18(24)25)1-4-16(14)20-17/h1,3-5,7-8,21H,2,6,9H2,(H,20,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7492 (3-[(2Z,3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2...) Show SMILES Ic1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O Show InChI InChI=1S/C16H10IN3O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)15-14(20-22)9-3-1-2-4-11(9)18-15/h1-7,13,18H,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	7.2	30
Technische Universitat Braunschweig					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. 32...				Bioorg Med Chem Lett 14: 413-6 (2004) Article DOI: 10.1016/j.bmcl.2003.10.062 BindingDB Entry DOI: 10.7270/Q2BR8QDD
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM84530 (Alsterpaullone derivative, 4) Show SMILES NCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H18N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,7,10,20H2,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7491 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)	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	28	n/a	n/a	n/a	n/a	7.2	30
Technische Universitat Braunschweig					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. 32...				Bioorg Med Chem Lett 14: 413-6 (2004) Article DOI: 10.1016/j.bmcl.2003.10.062 BindingDB Entry DOI: 10.7270/Q2BR8QDD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7335 (5-(4-aminobutoxy)-14-bromo-8,18-diazatetracyclo[9....) Show SMILES NCCCCOc1ccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc2c1 Show InChI InChI=1S/C20H20BrN3O2/c21-12-3-6-17-15(9-12)16-11-19(25)23-18-10-13(26-8-2-1-7-22)4-5-14(18)20(16)24-17/h3-6,9-10,24H,1-2,7-8,11,22H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM84533 (Alsterpaullone derivative, 7 | BDBM50375663) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1 Show InChI InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50376091 (CHEMBL260136) Show SMILES O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2cnccc2N1 Show InChI InChI=1S/C16H10N4O/c17-7-9-1-2-13-10(5-9)11-6-15(21)19-14-3-4-18-8-12(14)16(11)20-13/h1-5,8,20H,6H2,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of recombinant CDK5/p25 expressed in Escherichia coli				J Med Chem 51: 2196-207 (2008) Article DOI: 10.1021/jm701582f BindingDB Entry DOI: 10.7270/Q2SF2X22
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM84532 (Alsterpaullone derivative, 6) Show SMILES COC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C20H17N3O5/c1-28-19(25)7-3-11-2-5-17-15(8-11)20-14(10-18(24)21-17)13-9-12(23(26)27)4-6-16(13)22-20/h2,4-6,8-9,22H,3,7,10H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7340 (13-nitro-3-thia-7,17-diazatetracyclo[8.7.0.0^{2,6}...) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1 Show InChI InChI=1S/C14H9N3O3S/c18-12-6-9-8-5-7(17(19)20)1-2-10(8)16-13(9)14-11(15-12)3-4-21-14/h1-5,16H,6H2,(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM7262 (14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM7262 (14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of recombinant CDK5/p25 expressed in Escherichia coli				J Med Chem 51: 2196-207 (2008) Article DOI: 10.1021/jm701582f BindingDB Entry DOI: 10.7270/Q2SF2X22
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM7262 (14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3 (Homo sapiens (Human))	BDBM7269 (3-(6-oxo-9-trifluoromethyl-5,6,7,12-tetrahydro-ind...) Show SMILES FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1 Show InChI InChI=1S/C20H14F3N3O/c21-20(22,23)12-4-6-16-13(9-12)14-10-18(27)25-17-5-3-11(2-1-7-24)8-15(17)19(14)26-16/h3-6,8-9,26H,1-2,10H2,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Universität Hamburg Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 1-cyclin B from Starfish oocytes				Bioorg Med Chem Lett 10: 567-9 (2000) BindingDB Entry DOI: 10.7270/Q2Z60N98
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7329 (3-Methoxy-9-nitro-7,12-dihydro-indolo[3,2-d][1]ben...) Show SMILES COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O4/c1-24-10-3-4-11-15(7-10)18-16(21)8-13-12-6-9(20(22)23)2-5-14(12)19-17(11)13/h2-7,19H,8H2,1H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7330 (2-Methoxy-9-nitro-7,12-dihydro-indolo[3,2-d][1]ben...) Show SMILES COc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C17H13N3O4/c1-24-10-3-5-15-13(7-10)17-12(8-16(21)18-15)11-6-9(20(22)23)2-4-14(11)19-17/h2-7,19H,8H2,1H3,(H,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	70	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM84529 (Alsterpaullone derivative, 3) Show SMILES NCCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C20H20N4O3/c21-8-2-1-3-12-4-6-18-16(9-12)20-15(11-19(25)22-18)14-10-13(24(26)27)5-7-17(14)23-20/h4-7,9-10,23H,1-3,8,11,21H2,(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7339 (5-Oxo-4,5,6,11-tetrahydro-thieno[3 ,2 :2,3]azepino...) Show SMILES O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2sccc2N1 Show InChI InChI=1S/C15H9N3OS/c16-7-8-1-2-11-9(5-8)10-6-13(19)17-12-3-4-20-15(12)14(10)18-11/h1-5,18H,6H2,(H,17,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7340 (13-nitro-3-thia-7,17-diazatetracyclo[8.7.0.0^{2,6}...) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1 Show InChI InChI=1S/C14H9N3O3S/c18-12-6-9-8-5-7(17(19)20)1-2-10(8)16-13(9)14-11(15-12)3-4-21-14/h1-5,16H,6H2,(H,15,18)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM84531 (Alsterpaullone derivative, 5) Show SMILES OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H15N3O5/c23-17-9-13-12-8-11(22(26)27)3-5-15(12)21-19(13)14-7-10(2-6-18(24)25)1-4-16(14)20-17/h1,3-5,7-8,21H,2,6,9H2,(H,20,23)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM84529 (Alsterpaullone derivative, 3) Show SMILES NCCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C20H20N4O3/c21-8-2-1-3-12-4-6-18-16(9-12)20-15(11-19(25)22-18)14-10-13(24(26)27)5-7-17(14)23-20/h4-7,9-10,23H,1-3,8,11,21H2,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7330 (2-Methoxy-9-nitro-7,12-dihydro-indolo[3,2-d][1]ben...) Show SMILES COc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C17H13N3O4/c1-24-10-3-5-15-13(7-10)17-12(8-16(21)18-15)11-6-9(20(22)23)2-4-14(11)19-17/h2-7,19H,8H2,1H3,(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.2	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7325 (2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydroin...) Show SMILES CC(=O)Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1 Show InChI InChI=1S/C20H15F3N2O2/c1-10(26)6-11-2-4-17-15(7-11)19-14(9-18(27)24-17)13-8-12(20(21,22)23)3-5-16(13)25-19/h2-5,7-8,25H,6,9H2,1H3,(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM21 (CHEMBL24828 | N-(4-bromo-2-fluorophenyl)-6-methoxy...) Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1 Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of human recombinant histidine-tagged RET (700-1020) expressed in Sf9 cells by ELISA				Eur J Med Chem 45: 2919-27 (2010) Article DOI: 10.1016/j.ejmech.2010.03.017 BindingDB Entry DOI: 10.7270/Q25X294R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 5 activator 1 [99-307] (Homo sapiens (Human))	BDBM7340 (13-nitro-3-thia-7,17-diazatetracyclo[8.7.0.0^{2,6}...) Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1 Show InChI InChI=1S/C14H9N3O3S/c18-12-6-9-8-5-7(17(19)20)1-2-10(8)16-13(9)14-11(15-12)3-4-21-14/h1-5,16H,6H2,(H,15,18)	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	100	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM84532 (Alsterpaullone derivative, 6) Show SMILES COC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C20H17N3O5/c1-28-19(25)7-3-11-2-5-17-15(8-11)20-14(10-18(24)21-17)13-9-12(23(26)27)4-6-16(13)22-20/h2,4-6,8-9,22H,3,7,10H2,1H3,(H,21,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50376090 (CHEMBL260119) Show SMILES FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccncc-34)c2c1 Show InChI InChI=1S/C16H10F3N3O/c17-16(18,19)8-1-2-12-9(5-8)10-6-14(23)21-13-3-4-20-7-11(13)15(10)22-12/h1-5,7,22H,6H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of recombinant CDK5/p25 expressed in Escherichia coli				J Med Chem 51: 2196-207 (2008) Article DOI: 10.1021/jm701582f BindingDB Entry DOI: 10.7270/Q2SF2X22
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7336 (13-bromo-3-thia-7,17-diazatetracyclo[8.7.0.0^{2,6}...) Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1 Show InChI InChI=1S/C14H9BrN2OS/c15-7-1-2-10-8(5-7)9-6-12(18)16-11-3-4-19-14(11)13(9)17-10/h1-5,17H,6H2,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.5	30
Technische Universitat Braunschweig					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. 32...				Bioorg Med Chem Lett 14: 413-6 (2004) Article DOI: 10.1016/j.bmcl.2003.10.062 BindingDB Entry DOI: 10.7270/Q2BR8QDD
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7336 (13-bromo-3-thia-7,17-diazatetracyclo[8.7.0.0^{2,6}...) Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccsc-34)c2c1 Show InChI InChI=1S/C14H9BrN2OS/c15-7-1-2-10-8(5-7)9-6-12(18)16-11-3-4-19-14(11)13(9)17-10/h1-5,17H,6H2,(H,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7328 (3-Methoxy-6-oxo-5,6,7,12-tetrahydro-indolo[3,2-d][...) Show SMILES COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)C#N Show InChI InChI=1S/C18H13N3O2/c1-23-11-3-4-12-16(7-11)20-17(22)8-14-13-6-10(9-19)2-5-15(13)21-18(12)14/h2-7,21H,8H2,1H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50376092 (CHEMBL406619) Show SMILES Brc1ccc2[nH]c-3c(CC(=O)Nc4ccncc-34)c2c1 Show InChI InChI=1S/C15H10BrN3O/c16-8-1-2-12-9(5-8)10-6-14(20)18-13-3-4-17-7-11(13)15(10)19-12/h1-5,7,19H,6H2,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of recombinant CDK5/p25 expressed in Escherichia coli				J Med Chem 51: 2196-207 (2008) Article DOI: 10.1021/jm701582f BindingDB Entry DOI: 10.7270/Q2SF2X22
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B (Marthasterias glacialis (starfish))	BDBM7325 (2-(2-oxopropyl)-9-(trifluoromethyl)-7,12-dihydroin...) Show SMILES CC(=O)Cc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2c1 Show InChI InChI=1S/C20H15F3N2O2/c1-10(26)6-11-2-4-17-15(7-11)19-14(9-18(27)24-17)13-8-12(20(21,22)23)3-5-16(13)25-19/h2-5,7-8,25H,6,9H2,1H3,(H,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.2	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50376088 (CHEMBL260045) Show SMILES Clc1ccc2[nH]c-3c(CC(=O)Nc4ccncc-34)c2c1 Show InChI InChI=1S/C15H10ClN3O/c16-8-1-2-12-9(5-8)10-6-14(20)18-13-3-4-17-7-11(13)15(10)19-12/h1-5,7,19H,6H2,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of recombinant CDK5/p25 expressed in Escherichia coli				J Med Chem 51: 2196-207 (2008) Article DOI: 10.1021/jm701582f BindingDB Entry DOI: 10.7270/Q2SF2X22
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Rattus norvegicus (rat))	BDBM7320 (3-Methoxy-9-trifluormethyl-7,12-dihydro-indolo[3,2...) Show SMILES COc1ccc2-c3[nH]c4ccc(cc4c3CC(=O)Nc2c1)C(F)(F)F Show InChI InChI=1S/C18H13F3N2O2/c1-25-10-3-4-11-15(7-10)22-16(24)8-13-12-6-9(18(19,20)21)2-5-14(12)23-17(11)13/h2-7,23H,8H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	30
Universitat Hamburg					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. 32...				J Med Chem 47: 22-36 (2004) Article DOI: 10.1021/jm0308904 BindingDB Entry DOI: 10.7270/Q28050TR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM84532 (Alsterpaullone derivative, 6) Show SMILES COC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C20H17N3O5/c1-28-19(25)7-3-11-2-5-17-15(8-11)20-14(10-18(24)21-17)13-9-12(23(26)27)4-6-16(13)22-20/h2,4-6,8-9,22H,3,7,10H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.5	30
Technische Universität Braunschweig					Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25.				Chembiochem 6: 541-9 (2005) Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50376089 (CHEMBL260657) Show SMILES Fc1ccc2[nH]c-3c(CC(=O)Nc4ccncc-34)c2c1 Show InChI InChI=1S/C15H10FN3O/c16-8-1-2-12-9(5-8)10-6-14(20)18-13-3-4-17-7-11(13)15(10)19-12/h1-5,7,19H,6H2,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Braunschweig Curated by ChEMBL					Assay Description Inhibition of recombinant CDK5/p25 expressed in Escherichia coli				J Med Chem 51: 2196-207 (2008) Article DOI: 10.1021/jm701582f BindingDB Entry DOI: 10.7270/Q2SF2X22
					More data for this Ligand-Target Pair

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