Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50033845   

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
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50352490 (CHEMBL1824331) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2cccnc2F)cc1 Show InChI InChI=1S/C19H17FN4O2/c1-26-15-6-4-13(5-7-15)12-23-19(25)24-17-11-14(8-10-21-17)16-3-2-9-22-18(16)20/h2-11H,12H2,1H3,(H2,21,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50229962 (1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...) Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50352494 (CHEMBL1824332) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50352494 (CHEMBL1824332) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50352492 (CHEMBL1824540) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50229962 (1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...) Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	3.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50352493 (CHEMBL1824334) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50352493 (CHEMBL1824334) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 alpha (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+6	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3alpha activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	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	1.43E+6	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50352492 (CHEMBL1824540) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.64E+6	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human GSK3-beta activity using Ser/Thr 9 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352494 (CHEMBL1824332) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+6	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50352494 (CHEMBL1824332) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+7	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50352494 (CHEMBL1824332) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.42E+7	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50352494 (CHEMBL1824332) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C17H15N7O2S/c1-26-12-5-2-10(3-6-12)9-18-16(25)20-17-19-13-7-4-11(8-14(13)27-17)15-21-23-24-22-15/h2-8H,9H2,1H3,(H2,18,19,20,25)(H,21,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.64E+7	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50229962 (1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...) Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	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	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50352492 (CHEMBL1824540) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50352492 (CHEMBL1824540) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352492 (CHEMBL1824540) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50229962 (1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...) Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50352493 (CHEMBL1824334) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50352493 (CHEMBL1824334) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50352492 (CHEMBL1824540) Show SMILES COc1ccc(CNC(=O)Nc2nc3ccc(cc3s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H14N4O4S/c1-24-12-5-2-10(3-6-12)9-17-15(21)19-16-18-13-7-4-11(20(22)23)8-14(13)25-16/h2-8H,9H2,1H3,(H2,17,18,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50352493 (CHEMBL1824334) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	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	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human PKCalpha activity using Ser/Thr 7 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50229962 (1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...) Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50352493 (CHEMBL1824334) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C15H15N7O2/c1-24-12-4-2-10(3-5-12)9-17-15(23)18-13-8-11(6-7-16-13)14-19-21-22-20-14/h2-8H,9H2,1H3,(H2,16,17,18,23)(H,19,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CKI epsilon activity using Ser/Thr 11 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50229962 (1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea | ...) Show SMILES COc1ccc(CNC(=O)Nc2ncc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human AURKA activity using Ser/Thr 1 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50352491 (CHEMBL1824539) Show SMILES COc1ccc(CNC(=O)Nc2cc(ccn2)C#N)cc1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-4-2-11(3-5-13)10-18-15(20)19-14-8-12(9-16)6-7-17-14/h2-8H,10H2,1H3,(H2,17,18,19,20)	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	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Inhibition of human CDK5/p35 activity using Ser/Thr 12 peptide as substrate by FRET assay				Bioorg Med Chem Lett 21: 5610-5 (2011) Article DOI: 10.1016/j.bmcl.2011.06.131 BindingDB Entry DOI: 10.7270/Q2765FP3
					More data for this Ligand-Target Pair