Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with all data for entry = 50039526   

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
Aurora kinase A (Homo sapiens (Human))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13| Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50379503 (CHEMBL2012415) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1 |r| Show InChI InChI=1S/C26H34N8O2/c1-31-15-20(12-23(31)25(35)33-4-2-3-21(33)16-32-5-7-36-8-6-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m1/s1	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379494 (CHEMBL2012406) Show SMILES C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C22H27N7O/c1-13-4-3-5-28(13)21(30)19-9-17(12-27(19)2)25-22-23-10-16-11-24-29(20(16)26-22)18-7-14-6-15(14)8-18/h9-15,18H,3-8H2,1-2H3,(H,23,25,26)/t13-,14-,15+,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379497 (CHEMBL2012409) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C22H27N7O2/c1-27-11-16(8-19(27)21(31)28-4-2-3-17(28)12-30)25-22-23-9-15-10-24-29(20(15)26-22)18-6-13-5-14(13)7-18/h8-11,13-14,17-18,30H,2-7,12H2,1H3,(H,23,25,26)/t13-,14+,17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379500 (CHEMBL2012412) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCOCC1 |r| Show InChI InChI=1S/C26H34N8O2/c1-31-15-20(12-23(31)25(35)33-4-2-3-21(33)16-32-5-7-36-8-6-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379503 (CHEMBL2012415) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1 |r| Show InChI InChI=1S/C26H34N8O2/c1-31-15-20(12-23(31)25(35)33-4-2-3-21(33)16-32-5-7-36-8-6-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379500 (CHEMBL2012412) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCOCC1 |r| Show InChI InChI=1S/C26H34N8O2/c1-31-15-20(12-23(31)25(35)33-4-2-3-21(33)16-32-5-7-36-8-6-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379499 (CHEMBL2012411) Show SMILES COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C23H29N7O2/c1-28-12-17(9-20(28)22(31)29-5-3-4-18(29)13-32-2)26-23-24-10-16-11-25-30(21(16)27-23)19-7-14-6-15(14)8-19/h9-12,14-15,18-19H,3-8,13H2,1-2H3,(H,24,26,27)/t14-,15+,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379497 (CHEMBL2012409) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C22H27N7O2/c1-27-11-16(8-19(27)21(31)28-4-2-3-17(28)12-30)25-22-23-9-15-10-24-29(20(15)26-22)18-6-13-5-14(13)7-18/h8-11,13-14,17-18,30H,2-7,12H2,1H3,(H,23,25,26)/t13-,14+,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379496 (CHEMBL2012408) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C22H26N8O2/c1-28-11-15(8-18(28)21(32)29-4-2-3-17(29)19(23)31)26-22-24-9-14-10-25-30(20(14)27-22)16-6-12-5-13(12)7-16/h8-13,16-17H,2-7H2,1H3,(H2,23,31)(H,24,26,27)/t12-,13+,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379494 (CHEMBL2012406) Show SMILES C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C22H27N7O/c1-13-4-3-5-28(13)21(30)19-9-17(12-27(19)2)25-22-23-10-16-11-24-29(20(16)26-22)18-7-14-6-15(14)8-18/h9-15,18H,3-8H2,1-2H3,(H,23,25,26)/t13-,14-,15+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379493 (CHEMBL2012404) Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C24H30N8O2/c1-29(2)22(33)19-5-4-6-31(19)23(34)20-10-17(13-30(20)3)27-24-25-11-16-12-26-32(21(16)28-24)18-8-14-7-15(14)9-18/h10-15,18-19H,4-9H2,1-3H3,(H,25,27,28)/t14-,15+,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379492 (CHEMBL2012402) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C17H19N7O/c1-23-8-12(5-14(23)15(18)25)21-17-19-6-11-7-20-24(16(11)22-17)13-3-9-2-10(9)4-13/h5-10,13H,2-4H2,1H3,(H2,18,25)(H,19,21,22)/t9-,10+,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379498 (CHEMBL2012410) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCCC1 |r| Show InChI InChI=1S/C26H34N8O/c1-31-15-20(12-23(31)25(35)33-8-4-5-21(33)16-32-6-2-3-7-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379508 (CHEMBL2012400) Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O Show InChI InChI=1S/C19H23N7O/c1-25-11-13(8-15(25)16(20)27)23-18-21-9-12-10-22-26(17(12)24-18)14-2-4-19(5-3-14)6-7-19/h8-11,14H,2-7H2,1H3,(H2,20,27)(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379491 (CHEMBL2012401) Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC(C)(C)CC4)c3n2)cc1C(N)=O Show InChI InChI=1S/C19H25N7O/c1-19(2)6-4-14(5-7-19)26-17-12(10-22-26)9-21-18(24-17)23-13-8-15(16(20)27)25(3)11-13/h8-11,14H,4-7H2,1-3H3,(H2,20,27)(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379499 (CHEMBL2012411) Show SMILES COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C23H29N7O2/c1-28-12-17(9-20(28)22(31)29-5-3-4-18(29)13-32-2)26-23-24-10-16-11-25-30(21(16)27-23)19-7-14-6-15(14)8-19/h9-12,14-15,18-19H,3-8,13H2,1-2H3,(H,24,26,27)/t14-,15+,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379496 (CHEMBL2012408) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C22H26N8O2/c1-28-11-15(8-18(28)21(32)29-4-2-3-17(29)19(23)31)26-22-24-9-14-10-25-30(20(14)27-22)16-6-12-5-13(12)7-16/h8-13,16-17H,2-7H2,1H3,(H2,23,31)(H,24,26,27)/t12-,13+,16-,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379502 (CHEMBL2012414) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C23H29N7O2/c1-28-12-17(9-20(28)22(31)29-5-3-4-18(29)13-32-2)26-23-24-10-16-11-25-30(21(16)27-23)19-7-14-6-15(14)8-19/h9-12,14-15,18-19H,3-8,13H2,1-2H3,(H,24,26,27)/t14-,15+,18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379497 (CHEMBL2012409) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C22H27N7O2/c1-27-11-16(8-19(27)21(31)28-4-2-3-17(28)12-30)25-22-23-9-15-10-24-29(20(15)26-22)18-6-13-5-14(13)7-18/h8-11,13-14,17-18,30H,2-7,12H2,1H3,(H,23,25,26)/t13-,14+,17-,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379498 (CHEMBL2012410) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCCC1 |r| Show InChI InChI=1S/C26H34N8O/c1-31-15-20(12-23(31)25(35)33-8-4-5-21(33)16-32-6-2-3-7-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m0/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379496 (CHEMBL2012408) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C22H26N8O2/c1-28-11-15(8-18(28)21(32)29-4-2-3-17(29)19(23)31)26-22-24-9-14-10-25-30(20(14)27-22)16-6-12-5-13(12)7-16/h8-13,16-17H,2-7H2,1H3,(H2,23,31)(H,24,26,27)/t12-,13+,16-,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379507 (CHEMBL2012398) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C19H23N7O/c1-25-10-13(7-16(25)17(20)27)23-19-21-8-12-9-22-26(18(12)24-19)15-6-5-11-3-2-4-14(11)15/h7-11,14-15H,2-6H2,1H3,(H2,20,27)(H,21,23,24)/t11-,14-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379489 (CHEMBL2012403) Show SMILES Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C19H23N7O/c1-25-10-13(7-16(25)17(20)27)23-19-21-8-12-9-22-26(18(12)24-19)15-6-5-11-3-2-4-14(11)15/h7-11,14-15H,2-6H2,1H3,(H2,20,27)(H,21,23,24)/t11-,14-,15-/m1/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379489 (CHEMBL2012403) Show SMILES Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C19H23N7O/c1-25-10-13(7-16(25)17(20)27)23-19-21-8-12-9-22-26(18(12)24-19)15-6-5-11-3-2-4-14(11)15/h7-11,14-15H,2-6H2,1H3,(H2,20,27)(H,21,23,24)/t11-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379490 (CHEMBL2012399) Show SMILES Cn1cc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1C(N)=O Show InChI InChI=1S/C18H23N7O/c1-24-11-13(8-15(24)16(19)26)22-18-20-9-12-10-21-25(17(12)23-18)14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H2,19,26)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379502 (CHEMBL2012414) Show SMILES COC[C@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C23H29N7O2/c1-28-12-17(9-20(28)22(31)29-5-3-4-18(29)13-32-2)26-23-24-10-16-11-25-30(21(16)27-23)19-7-14-6-15(14)8-19/h9-12,14-15,18-19H,3-8,13H2,1-2H3,(H,24,26,27)/t14-,15+,18-,19-/m1/s1	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379507 (CHEMBL2012398) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C19H23N7O/c1-25-10-13(7-16(25)17(20)27)23-19-21-8-12-9-22-26(18(12)24-19)15-6-5-11-3-2-4-14(11)15/h7-11,14-15H,2-6H2,1H3,(H2,20,27)(H,21,23,24)/t11-,14-,15+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379492 (CHEMBL2012402) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C17H19N7O/c1-23-8-12(5-14(23)15(18)25)21-17-19-6-11-7-20-24(16(11)22-17)13-3-9-2-10(9)4-13/h5-10,13H,2-4H2,1H3,(H2,18,25)(H,19,21,22)/t9-,10+,13-	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379495 (CHEMBL2012407) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCCC1 |r| Show InChI InChI=1S/C21H25N7O/c1-26-12-16(9-18(26)20(29)27-4-2-3-5-27)24-21-22-10-15-11-23-28(19(15)25-21)17-7-13-6-14(13)8-17/h9-14,17H,2-8H2,1H3,(H,22,24,25)/t13-,14+,17-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379506 (CHEMBL2012397) Show SMILES Cn1cc(Nc2ncc3cnn(C4C5CC6CC(C5)CC4C6)c3n2)cc1C(N)=O |THB:19:17:14:12.21.20,16:17:12:14.15.21,(-6.38,-15.11,;-7.29,-13.87,;-6.81,-12.4,;-8.06,-11.49,;-8.06,-9.95,;-6.73,-9.18,;-6.72,-7.63,;-5.39,-6.86,;-4.06,-7.63,;-2.59,-7.14,;-1.67,-8.38,;-2.58,-9.64,;-2.58,-11.18,;-3.92,-11.94,;-3.92,-13.48,;-2.58,-14.26,;-3.29,-13.44,;-2.59,-12.34,;-3.35,-12.69,;-2.07,-12.75,;-1.24,-11.94,;-1.25,-13.49,;-4.05,-9.17,;-5.39,-9.95,;-9.3,-12.39,;-8.83,-13.87,;-9.88,-15,;-11.39,-14.66,;-9.41,-16.47,)| Show InChI InChI=1S/C21H25N7O/c1-27-10-16(7-17(27)19(22)29)25-21-23-8-15-9-24-28(20(15)26-21)18-13-3-11-2-12(5-13)6-14(18)4-11/h7-14,18H,2-6H2,1H3,(H2,22,29)(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379493 (CHEMBL2012404) Show SMILES CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C24H30N8O2/c1-29(2)22(33)19-5-4-6-31(19)23(34)20-10-17(13-30(20)3)27-24-25-11-16-12-26-32(21(16)28-24)18-8-14-7-15(14)9-18/h10-15,18-19H,4-9H2,1-3H3,(H,25,27,28)/t14-,15+,18-,19-/m0/s1	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379505 (CHEMBL2012309) Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)C4)c3n2)cc1C(N)=O Show InChI InChI=1S/C18H21N7O/c1-24-10-12(6-14(24)15(19)26)22-17-20-8-11-9-21-25(16(11)23-17)13-2-3-18(7-13)4-5-18/h6,8-10,13H,2-5,7H2,1H3,(H2,19,26)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379508 (CHEMBL2012400) Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O Show InChI InChI=1S/C19H23N7O/c1-25-11-13(8-15(25)16(20)27)23-18-21-9-12-10-22-26(17(12)24-18)14-2-4-19(5-3-14)6-7-19/h8-11,14H,2-7H2,1H3,(H2,20,27)(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50205472 ((5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-y...) Show SMILES O=C1N=C(NCc2cccs2)SC1=Cc1ccc2ncccc2c1 |w:13.15,t:2| Show InChI InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379500 (CHEMBL2012412) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCOCC1 |r| Show InChI InChI=1S/C26H34N8O2/c1-31-15-20(12-23(31)25(35)33-4-2-3-21(33)16-32-5-7-36-8-6-32)29-26-27-13-19-14-28-34(24(19)30-26)22-10-17-9-18(17)11-22/h12-15,17-18,21-22H,2-11,16H2,1H3,(H,27,29,30)/t17-,18+,21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379507 (CHEMBL2012398) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C19H23N7O/c1-25-10-13(7-16(25)17(20)27)23-19-21-8-12-9-22-26(18(12)24-19)15-6-5-11-3-2-4-14(11)15/h7-11,14-15H,2-6H2,1H3,(H2,20,27)(H,21,23,24)/t11-,14-,15+/m1/s1	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379499 (CHEMBL2012411) Show SMILES COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C23H29N7O2/c1-28-12-17(9-20(28)22(31)29-5-3-4-18(29)13-32-2)26-23-24-10-16-11-25-30(21(16)27-23)19-7-14-6-15(14)8-19/h9-12,14-15,18-19H,3-8,13H2,1-2H3,(H,24,26,27)/t14-,15+,18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379489 (CHEMBL2012403) Show SMILES Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C19H23N7O/c1-25-10-13(7-16(25)17(20)27)23-19-21-8-12-9-22-26(18(12)24-19)15-6-5-11-3-2-4-14(11)15/h7-11,14-15H,2-6H2,1H3,(H2,20,27)(H,21,23,24)/t11-,14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379490 (CHEMBL2012399) Show SMILES Cn1cc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1C(N)=O Show InChI InChI=1S/C18H23N7O/c1-24-11-13(8-15(24)16(19)26)22-18-20-9-12-10-21-25(17(12)23-18)14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H2,19,26)(H,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379491 (CHEMBL2012401) Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC(C)(C)CC4)c3n2)cc1C(N)=O Show InChI InChI=1S/C19H25N7O/c1-19(2)6-4-14(5-7-19)26-17-12(10-22-26)9-21-18(24-17)23-13-8-15(16(20)27)25(3)11-13/h8-11,14H,4-7H2,1-3H3,(H2,20,27)(H,21,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379492 (CHEMBL2012402) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O |r| Show InChI InChI=1S/C17H19N7O/c1-23-8-12(5-14(23)15(18)25)21-17-19-6-11-7-20-24(16(11)22-17)13-3-9-2-10(9)4-13/h5-10,13H,2-4H2,1H3,(H2,18,25)(H,19,21,22)/t9-,10+,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379506 (CHEMBL2012397) Show SMILES Cn1cc(Nc2ncc3cnn(C4C5CC6CC(C5)CC4C6)c3n2)cc1C(N)=O |THB:19:17:14:12.21.20,16:17:12:14.15.21,(-6.38,-15.11,;-7.29,-13.87,;-6.81,-12.4,;-8.06,-11.49,;-8.06,-9.95,;-6.73,-9.18,;-6.72,-7.63,;-5.39,-6.86,;-4.06,-7.63,;-2.59,-7.14,;-1.67,-8.38,;-2.58,-9.64,;-2.58,-11.18,;-3.92,-11.94,;-3.92,-13.48,;-2.58,-14.26,;-3.29,-13.44,;-2.59,-12.34,;-3.35,-12.69,;-2.07,-12.75,;-1.24,-11.94,;-1.25,-13.49,;-4.05,-9.17,;-5.39,-9.95,;-9.3,-12.39,;-8.83,-13.87,;-9.88,-15,;-11.39,-14.66,;-9.41,-16.47,)| Show InChI InChI=1S/C21H25N7O/c1-27-10-16(7-17(27)19(22)29)25-21-23-8-15-9-24-28(20(15)26-21)18-13-3-11-2-12(5-13)6-14(18)4-11/h7-14,18H,2-6H2,1H3,(H2,22,29)(H,23,25,26)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379491 (CHEMBL2012401) Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC(C)(C)CC4)c3n2)cc1C(N)=O Show InChI InChI=1S/C19H25N7O/c1-19(2)6-4-14(5-7-19)26-17-12(10-22-26)9-21-18(24-17)23-13-8-15(16(20)27)25(3)11-13/h8-11,14H,4-7H2,1-3H3,(H2,20,27)(H,21,23,24)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379501 (CHEMBL2012413) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CO |r| Show InChI InChI=1S/C22H27N7O2/c1-27-11-16(8-19(27)21(31)28-4-2-3-17(28)12-30)25-22-23-9-15-10-24-29(20(15)26-22)18-6-13-5-14(13)7-18/h8-11,13-14,17-18,30H,2-7,12H2,1H3,(H,23,25,26)/t13-,14+,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379504 (CHEMBL2012308) Show SMILES CC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc12 Show InChI InChI=1S/C14H17N7O/c1-8(2)21-13-9(6-17-21)5-16-14(19-13)18-10-4-11(12(15)22)20(3)7-10/h4-8H,1-3H3,(H2,15,22)(H,16,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379506 (CHEMBL2012397) Show SMILES Cn1cc(Nc2ncc3cnn(C4C5CC6CC(C5)CC4C6)c3n2)cc1C(N)=O |THB:19:17:14:12.21.20,16:17:12:14.15.21,(-6.38,-15.11,;-7.29,-13.87,;-6.81,-12.4,;-8.06,-11.49,;-8.06,-9.95,;-6.73,-9.18,;-6.72,-7.63,;-5.39,-6.86,;-4.06,-7.63,;-2.59,-7.14,;-1.67,-8.38,;-2.58,-9.64,;-2.58,-11.18,;-3.92,-11.94,;-3.92,-13.48,;-2.58,-14.26,;-3.29,-13.44,;-2.59,-12.34,;-3.35,-12.69,;-2.07,-12.75,;-1.24,-11.94,;-1.25,-13.49,;-4.05,-9.17,;-5.39,-9.95,;-9.3,-12.39,;-8.83,-13.87,;-9.88,-15,;-11.39,-14.66,;-9.41,-16.47,)| Show InChI InChI=1S/C21H25N7O/c1-27-10-16(7-17(27)19(22)29)25-21-23-8-15-9-24-28(20(15)26-21)18-13-3-11-2-12(5-13)6-14(18)4-11/h7-14,18H,2-6H2,1H3,(H2,22,29)(H,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50379508 (CHEMBL2012400) Show SMILES Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O Show InChI InChI=1S/C19H23N7O/c1-25-11-13(8-15(25)16(20)27)23-18-21-9-12-10-22-26(17(12)24-18)14-2-4-19(5-3-14)6-7-19/h8-11,14H,2-7H2,1H3,(H2,20,27)(H,21,23,24)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora A kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50379494 (CHEMBL2012406) Show SMILES C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r| Show InChI InChI=1S/C22H27N7O/c1-13-4-3-5-28(13)21(30)19-9-17(12-27(19)2)25-22-23-10-16-11-24-29(20(16)26-22)18-7-14-6-15(14)8-18/h9-15,18H,3-8H2,1-2H3,(H,23,25,26)/t13-,14-,15+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of CDK1				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50379495 (CHEMBL2012407) Show SMILES Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCCC1 |r| Show InChI InChI=1S/C21H25N7O/c1-26-12-16(9-18(26)20(29)27-4-2-3-5-27)24-21-22-10-15-11-23-28(19(15)25-21)17-7-13-6-14(13)8-17/h9-14,17H,2-8H2,1H3,(H,22,24,25)/t13-,14+,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of aurora B kinase				Bioorg Med Chem Lett 22: 2070-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.019 BindingDB Entry DOI: 10.7270/Q2833T1N
					More data for this Ligand-Target Pair

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