Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'boländer' and Initial = 'a'   

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
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398203 (CHEMBL2181533) Show SMILES CN(C)c1ccc(\C=C\C=C\c2cc(\C=C\C=C\c3ccc(cc3)N(C)C)ncn2)cc1 Show InChI InChI=1S/C28H30N4/c1-31(2)27-17-13-23(14-18-27)9-5-7-11-25-21-26(30-22-29-25)12-8-6-10-24-15-19-28(20-16-24)32(3)4/h5-22H,1-4H3/b9-5+,10-6+,11-7+,12-8+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398204 (CHEMBL2181532) Show SMILES C1CCN(C1)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N3CCCC3)ncn2)cc1 Show InChI InChI=1S/C28H30N4/c1-2-18-31(17-1)27-13-7-23(8-14-27)5-11-25-21-26(30-22-29-25)12-6-24-9-15-28(16-10-24)32-19-3-4-20-32/h5-16,21-22H,1-4,17-20H2/b11-5+,12-6+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398207 (CHEMBL2181045) Show SMILES CN(C)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N(C)C)ncn2)cc1 Show InChI InChI=1S/C24H26N4/c1-27(2)23-13-7-19(8-14-23)5-11-21-17-22(26-18-25-21)12-6-20-9-15-24(16-10-20)28(3)4/h5-18H,1-4H3/b11-5+,12-6+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398209 (CHEMBL2181041) Show SMILES C1CN(CCO1)c1ccc(\C=C\c2cnc(\C=C\c3ccc(cc3)N3CCOCC3)cn2)cc1 Show InChI InChI=1S/C28H30N4O2/c1(23-3-9-27(10-4-23)31-13-17-33-18-14-31)7-25-21-30-26(22-29-25)8-2-24-5-11-28(12-6-24)32-15-19-34-20-16-32/h1-12,21-22H,13-20H2/b7-1+,8-2+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398210 (CHEMBL2181039) Show SMILES COc1ccc(\C=C\c2cnc(\C=C\c3ccc(OC)cc3)cn2)cc1 Show InChI InChI=1S/C22H20N2O2/c1-25-21-11-5-17(6-12-21)3-9-19-15-24-20(16-23-19)10-4-18-7-13-22(26-2)14-8-18/h3-16H,1-2H3/b9-3+,10-4+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398205 (CHEMBL2181531) Show SMILES C1CCN(CC1)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N3CCCCC3)ncn2)cc1 Show InChI InChI=1S/C30H34N4/c1-3-19-33(20-4-1)29-15-9-25(10-16-29)7-13-27-23-28(32-24-31-27)14-8-26-11-17-30(18-12-26)34-21-5-2-6-22-34/h7-18,23-24H,1-6,19-22H2/b13-7+,14-8+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398208 (CHEMBL2181042) Show SMILES CN1CCN(CC1)c1ccc(\C=C\c2cnc(\C=C\c3ccc(cc3)N3CCN(C)CC3)cn2)cc1 Show InChI InChI=1S/C30H36N6/c1-33-15-19-35(20-16-33)29-11-5-25(6-12-29)3-9-27-23-32-28(24-31-27)10-4-26-7-13-30(14-8-26)36-21-17-34(2)18-22-36/h3-14,23-24H,15-22H2,1-2H3/b9-3+,10-4+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					More data for this Ligand-Target Pair
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
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398211 (CHEMBL2181036) Show SMILES COc1cc(\C=C\c2ccc(O)cc2)ccc1\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C23H20O3/c1-26-23-16-19(3-2-17-6-12-21(24)13-7-17)5-11-20(23)10-4-18-8-14-22(25)15-9-18/h2-16,24-25H,1H3/b3-2+,10-4+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398200 (CHEMBL2181538) Show SMILES CN(C)c1ccc(\C=C\c2cc(c(\C=C\c3ccc(cc3)N(C)C)nn2)-c2ccccc2F)cc1 Show InChI InChI=1S/C30H29FN4/c1-34(2)25-16-10-22(11-17-25)9-15-24-21-28(27-7-5-6-8-29(27)31)30(33-32-24)20-14-23-12-18-26(19-13-23)35(3)4/h5-21H,1-4H3/b15-9+,20-14+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398201 (CHEMBL2181537) Show SMILES COc1ccc(cc1)-c1cc(\C=C\c2ccc(cc2)N(C)C)nnc1\C=C\c1ccc(cc1)N(C)C Show InChI InChI=1S/C31H32N4O/c1-34(2)27-15-7-23(8-16-27)6-14-26-22-30(25-12-19-29(36-5)20-13-25)31(33-32-26)21-11-24-9-17-28(18-10-24)35(3)4/h6-22H,1-5H3/b14-6+,21-11+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398202 (CHEMBL2181535) Show SMILES C1CN(CCO1)c1ccc(\C=C\c2cc(c(\C=C\c3ccc(cc3)N3CCOCC3)nn2)-c2ccccc2)cc1 Show InChI InChI=1S/C34H34N4O2/c1-2-4-29(5-3-1)33-26-30(12-6-27-7-13-31(14-8-27)37-18-22-39-23-19-37)35-36-34(33)17-11-28-9-15-32(16-10-28)38-20-24-40-25-21-38/h1-17,26H,18-25H2/b12-6+,17-11+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					More data for this Ligand-Target Pair
Microtubule-associated protein tau (Homo sapiens (Human))	BDBM50398206 (CHEMBL2181047) Show SMILES CN1CCN(CC1)c1ccc(\C=C\c2cc(\C=C\c3ccc(cc3)N3CCN(C)CC3)ncn2)cc1 Show InChI InChI=1S/C30H36N6/c1-33-15-19-35(20-16-33)29-11-5-25(6-12-29)3-9-27-23-28(32-24-31-27)10-4-26-7-13-30(14-8-26)36-21-17-34(2)18-22-36/h3-14,23-24H,15-22H2,1-2H3/b9-3+,10-4+	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universit£t Darmstadt Curated by ChEMBL					Assay Description Displacement of thiazene red from tau aggregate				J Med Chem 55: 9170-80 (2012) Article DOI: 10.1021/jm300653b BindingDB Entry DOI: 10.7270/Q2PC33HQ
					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
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
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
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
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))	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
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
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
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
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
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
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
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