Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'wei' and Initial = 'wy'   

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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325294 (5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin-3-y...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cc(C(=O)NCCN4CCCC4)c(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C28H29N3O4Se/c1-17-22(27(33)29-9-12-31-10-3-4-11-31)15-20(36-17)16-23-21-7-5-18(13-24(21)30-28(23)34)19-6-8-25(32)26(14-19)35-2/h5-8,13-16,32H,3-4,9-12H2,1-2H3,(H,29,33)(H,30,34)/b23-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325307 (CHEMBL1223408 | N-(2-(diethylamino)ethyl)-5-((6-(4...) Show SMILES CCN(CC)CCNC(=O)c1cc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)[se]c1C Show InChI InChI=1S/C27H29N3O3Se/c1-4-30(5-2)13-12-28-26(32)23-15-21(34-17(23)3)16-24-22-11-8-19(14-25(22)29-27(24)33)18-6-9-20(31)10-7-18/h6-11,14-16,31H,4-5,12-13H2,1-3H3,(H,28,32)(H,29,33)/b24-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325308 (5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...) Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)cc1C(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H27N3O3Se/c1-17-23(26(32)28-10-13-30-11-2-3-12-30)15-21(34-17)16-24-22-9-6-19(14-25(22)29-27(24)33)18-4-7-20(31)8-5-18/h4-9,14-16,31H,2-3,10-13H2,1H3,(H,28,32)(H,29,33)/b24-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325296 (CHEMBL1223263 | N-(3-(1H-imidazol-1-yl)propyl)-5-(...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cc(C(=O)NCCCn4ccnc4)c(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C28H26N4O4Se/c1-17-22(27(34)30-8-3-10-32-11-9-29-16-32)14-20(37-17)15-23-21-6-4-18(12-24(21)31-28(23)35)19-5-7-25(33)26(13-19)36-2/h4-7,9,11-16,33H,3,8,10H2,1-2H3,(H,30,34)(H,31,35)/b23-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325292 (CHEMBL1223182 | N-(2-(dimethylamino)ethyl)-5-((6-(...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cc(C(=O)NCCN(C)C)c(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C26H27N3O4Se/c1-15-20(25(31)27-9-10-29(2)3)13-18(34-15)14-21-19-7-5-16(11-22(19)28-26(21)32)17-6-8-23(30)24(12-17)33-4/h5-8,11-14,30H,9-10H2,1-4H3,(H,27,31)(H,28,32)/b21-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325310 (CHEMBL1223478 | N-(3-(1H-imidazol-1-yl)propyl)-5-(...) Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)cc1C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C27H24N4O3Se/c1-17-23(26(33)29-9-2-11-31-12-10-28-16-31)14-21(35-17)15-24-22-8-5-19(13-25(22)30-27(24)34)18-3-6-20(32)7-4-18/h3-8,10,12-16,32H,2,9,11H2,1H3,(H,29,33)(H,30,34)/b24-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325306 (CHEMBL1223407 | N-(2-(dimethylamino)ethyl)-5-((6-(...) Show SMILES CN(C)CCNC(=O)c1cc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)[se]c1C Show InChI InChI=1S/C25H25N3O3Se/c1-15-21(24(30)26-10-11-28(2)3)13-19(32-15)14-22-20-9-6-17(12-23(20)27-25(22)31)16-4-7-18(29)8-5-16/h4-9,12-14,29H,10-11H2,1-3H3,(H,26,30)(H,27,31)/b22-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325293 (CHEMBL1223183 | N-(2-(diethylamino)ethyl)-5-((6-(4...) Show SMILES CCN(CC)CCNC(=O)c1cc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)c(OC)c2)[se]c1C Show InChI InChI=1S/C28H31N3O4Se/c1-5-31(6-2)12-11-29-27(33)22-15-20(36-17(22)3)16-23-21-9-7-18(13-24(21)30-28(23)34)19-8-10-25(32)26(14-19)35-4/h7-10,13-16,32H,5-6,11-12H2,1-4H3,(H,29,33)(H,30,34)/b23-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325309 (5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...) Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)cc1C(=O)NCCN1CCCCO1 Show InChI InChI=1S/C27H27N3O4Se/c1-17-23(26(32)28-10-12-30-11-2-3-13-34-30)15-21(35-17)16-24-22-9-6-19(14-25(22)29-27(24)33)18-4-7-20(31)8-5-18/h4-9,14-16,31H,2-3,10-13H2,1H3,(H,28,32)(H,29,33)/b24-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325295 (5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin-3-y...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cc(C(=O)NCCN4CCOCC4)c(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C28H29N3O5Se/c1-17-22(27(33)29-7-8-31-9-11-36-12-10-31)15-20(37-17)16-23-21-5-3-18(13-24(21)30-28(23)34)19-4-6-25(32)26(14-19)35-2/h3-6,13-16,32H,7-12H2,1-2H3,(H,29,33)(H,30,34)/b23-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325287 (CHEMBL1223044 | N-(2-(dimethylamino)ethyl)-5-((6-(...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCN(C)C)C(=O)Nc2c1 Show InChI InChI=1S/C25H25N3O4Se/c1-28(2)11-10-26-25(31)23-9-6-17(33-23)14-19-18-7-4-15(12-20(18)27-24(19)30)16-5-8-21(29)22(13-16)32-3/h4-9,12-14,29H,10-11H2,1-3H3,(H,26,31)(H,27,30)/b19-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325291 (CHEMBL1223118 | N-(3-(1H-imidazol-1-yl)propyl)-5-(...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCCn3ccnc3)C(=O)Nc2c1 Show InChI InChI=1S/C27H24N4O4Se/c1-35-24-14-18(4-7-23(24)32)17-3-6-20-21(26(33)30-22(20)13-17)15-19-5-8-25(36-19)27(34)29-9-2-11-31-12-10-28-16-31/h3-8,10,12-16,32H,2,9,11H2,1H3,(H,29,34)(H,30,33)/b21-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325304 (5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...) Show SMILES Oc1ccc(cc1)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCN3CCCCO3)C(=O)Nc2c1 Show InChI InChI=1S/C26H25N3O4Se/c30-19-6-3-17(4-7-19)18-5-9-21-22(25(31)28-23(21)15-18)16-20-8-10-24(34-20)26(32)27-11-13-29-12-1-2-14-33-29/h3-10,15-16,30H,1-2,11-14H2,(H,27,32)(H,28,31)/b22-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325289 (5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin-3-y...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCN3CCCC3)C(=O)Nc2c1 Show InChI InChI=1S/C27H27N3O4Se/c1-34-24-15-18(5-8-23(24)31)17-4-7-20-21(26(32)29-22(20)14-17)16-19-6-9-25(35-19)27(33)28-10-13-30-11-2-3-12-30/h4-9,14-16,31H,2-3,10-13H2,1H3,(H,28,33)(H,29,32)/b21-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325302 (CHEMBL1223338 | N-(2-(diethylamino)ethyl)-5-((6-(4...) Show SMILES CCN(CC)CCNC(=O)c1ccc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)[se]1 Show InChI InChI=1S/C26H27N3O3Se/c1-3-29(4-2)14-13-27-26(32)24-12-10-20(33-24)16-22-21-11-7-18(15-23(21)28-25(22)31)17-5-8-19(30)9-6-17/h5-12,15-16,30H,3-4,13-14H2,1-2H3,(H,27,32)(H,28,31)/b22-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325303 (5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...) Show SMILES Oc1ccc(cc1)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCN3CCCC3)C(=O)Nc2c1 Show InChI InChI=1S/C26H25N3O3Se/c30-19-6-3-17(4-7-19)18-5-9-21-22(25(31)28-23(21)15-18)16-20-8-10-24(33-20)26(32)27-11-14-29-12-1-2-13-29/h3-10,15-16,30H,1-2,11-14H2,(H,27,32)(H,28,31)/b22-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM14649 ((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1 Show InChI InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50324264 ((Z)-3-(4-Oxo-2-{[2-oxo-5-(pyrrolidin-1-ylsulfonyl)...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCC2)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C24H25N3O6S/c28-21-5-3-4-19-23(21)15(7-9-22(29)30)20(25-19)13-17-16-12-14(6-8-18(16)26-24(17)31)34(32,33)27-10-1-2-11-27/h6,8,12-13,25H,1-5,7,9-11H2,(H,26,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325301 (CHEMBL1223337 | N-(2-(dimethylamino)ethyl)-5-((6-(...) Show SMILES CN(C)CCNC(=O)c1ccc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)[se]1 Show InChI InChI=1S/C24H23N3O3Se/c1-27(2)12-11-25-24(30)22-10-8-18(31-22)14-20-19-9-5-16(13-21(19)26-23(20)29)15-3-6-17(28)7-4-15/h3-10,13-14,28H,11-12H2,1-2H3,(H,25,30)(H,26,29)/b20-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324267 ((Z)-3-(2-{[5-(Indolin-1-ylsulfonyl)-2-oxoindolin-3...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C28H25N3O6S/c32-25-7-3-5-22-27(25)18(9-11-26(33)34)23(29-22)15-20-19-14-17(8-10-21(19)30-28(20)35)38(36,37)31-13-12-16-4-1-2-6-24(16)31/h1-2,4,6,8,10,14-15,29H,3,5,7,9,11-13H2,(H,30,35)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325305 (CHEMBL1223406 | N-(3-(1H-imidazol-1-yl)propyl)-5-(...) Show SMILES Oc1ccc(cc1)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCCn3ccnc3)C(=O)Nc2c1 Show InChI InChI=1S/C26H22N4O3Se/c31-19-5-2-17(3-6-19)18-4-8-21-22(25(32)29-23(21)14-18)15-20-7-9-24(34-20)26(33)28-10-1-12-30-13-11-27-16-30/h2-9,11,13-16,31H,1,10,12H2,(H,28,33)(H,29,32)/b22-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325290 (5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin-3-y...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCN3CCOCC3)C(=O)Nc2c1 Show InChI InChI=1S/C27H27N3O5Se/c1-34-24-15-18(3-6-23(24)31)17-2-5-20-21(26(32)29-22(20)14-17)16-19-4-7-25(36-19)27(33)28-8-9-30-10-12-35-13-11-30/h2-7,14-16,31H,8-13H2,1H3,(H,28,33)(H,29,32)/b21-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325288 (CHEMBL1223115 | N-(2-(diethylamino)ethyl)-5-((6-(4...) Show SMILES CCN(CC)CCNC(=O)c1ccc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)c(OC)c2)[se]1 Show InChI InChI=1S/C27H29N3O4Se/c1-4-30(5-2)13-12-28-27(33)25-11-8-19(35-25)16-21-20-9-6-17(14-22(20)29-26(21)32)18-7-10-23(31)24(15-18)34-3/h6-11,14-16,31H,4-5,12-13H2,1-3H3,(H,28,33)(H,29,32)/b21-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324269 ((Z)-3-(4-Oxo-2-{[2-oxo-5-(phenylsulfonamido)indoli...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C26H23N3O6S/c30-23-8-4-7-21-25(23)17(10-12-24(31)32)22(27-21)14-19-18-13-15(9-11-20(18)28-26(19)33)29-36(34,35)16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,27,29H,4,7-8,10,12H2,(H,28,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325286 ((Z)-5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cc(C(O)=O)c(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C22H17NO5Se/c1-11-16(22(26)27)9-14(29-11)10-17-15-5-3-12(7-18(15)23-21(17)25)13-4-6-19(24)20(8-13)28-2/h3-10,24H,1-2H3,(H,23,25)(H,26,27)/b17-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325284 ((Z)-6-(4-hydroxy-3-methoxyphenyl)-3-((5-methylsele...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C21H17NO3Se/c1-12-3-6-15(26-12)11-17-16-7-4-13(9-18(16)22-21(17)24)14-5-8-19(23)20(10-14)25-2/h3-11,23H,1-2H3,(H,22,24)/b17-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325297 ((Z)-6-(4-hydroxyphenyl)-3-(selenophen-2-ylmethylen...) Show SMILES Oc1ccc(cc1)-c1ccc2\C(=C\c3ccc[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C19H13NO2Se/c21-14-6-3-12(4-7-14)13-5-8-16-17(11-15-2-1-9-23-15)19(22)20-18(16)10-13/h1-11,21H,(H,20,22)/b17-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324265 ((Z)-3-(4-Oxo-2-{[2-oxo-5-(piperidin-1-ylsulfonyl)i...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCCCC2)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C25H27N3O6S/c29-22-6-4-5-20-24(22)16(8-10-23(30)31)21(26-20)14-18-17-13-15(7-9-19(17)27-25(18)32)35(33,34)28-11-2-1-3-12-28/h7,9,13-14,26H,1-6,8,10-12H2,(H,27,32)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325300 ((Z)-5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene...) Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)cc1C(O)=O Show InChI InChI=1S/C21H15NO4Se/c1-11-17(21(25)26)9-15(27-11)10-18-16-7-4-13(8-19(16)22-20(18)24)12-2-5-14(23)6-3-12/h2-10,23H,1H3,(H,22,24)(H,25,26)/b18-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325298 ((Z)-6-(4-hydroxyphenyl)-3-((5-methylselenophen-2-y...) Show SMILES Cc1ccc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)[se]1 Show InChI InChI=1S/C20H15NO2Se/c1-12-2-8-16(24-12)11-18-17-9-5-14(10-19(17)21-20(18)23)13-3-6-15(22)7-4-13/h2-11,22H,1H3,(H,21,23)/b18-11-	PDB MMDB 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
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325283 ((Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(selenophen-2-...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C20H15NO3Se/c1-24-19-10-13(5-7-18(19)22)12-4-6-15-16(11-14-3-2-8-25-14)20(23)21-17(15)9-12/h2-11,22H,1H3,(H,21,23)/b16-11-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM50324263 ((Z)-3-(2-{[5-(N,N-Dimethylsulfamoyl)-2-oxoindolin-...) Show SMILES CN(C)S(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:14.14| Show InChI InChI=1S/C22H23N3O6S/c1-25(2)32(30,31)12-6-8-16-14(10-12)15(22(29)24-16)11-18-13(7-9-20(27)28)21-17(23-18)4-3-5-19(21)26/h6,8,10-11,23H,3-5,7,9H2,1-2H3,(H,24,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324266 ((Z)-3-(2-{[5-(Morpholinosulfonyl)-2-oxoindolin-3-y...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCOCC2)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C24H25N3O7S/c28-21-3-1-2-19-23(21)15(5-7-22(29)30)20(25-19)13-17-16-12-14(4-6-18(16)26-24(17)31)35(32,33)27-8-10-34-11-9-27/h4,6,12-13,25H,1-3,5,7-11H2,(H,26,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324262 ((Z)-3-(2-{[5-(N-Methylsulfamoyl)-2-oxoindolin-3-yl...) Show SMILES CNS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:13.13| Show InChI InChI=1S/C21H21N3O6S/c1-22-31(29,30)11-5-7-15-13(9-11)14(21(28)24-15)10-17-12(6-8-19(26)27)20-16(23-17)3-2-4-18(20)25/h5,7,9-10,22-23H,2-4,6,8H2,1H3,(H,24,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325312 (CHEMBL1223480 | N-(2-(dimethylamino)ethyl)-5-((6-(...) Show SMILES CN(C)CCNC(=O)c1cc(\C=C2/C(=O)Nc3cc(ccc23)-c2cccc(O)c2)[se]c1C Show InChI InChI=1S/C25H25N3O3Se/c1-15-21(24(30)26-9-10-28(2)3)13-19(32-15)14-22-20-8-7-17(12-23(20)27-25(22)31)16-5-4-6-18(29)11-16/h4-8,11-14,29H,9-10H2,1-3H3,(H,26,30)(H,27,31)/b22-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324268 ((Z)-3-(2-{[5-(Ethylsulfonamido)-2-oxoindolin-3-yli...) Show SMILES CCS(=O)(=O)Nc1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:14.14| Show InChI InChI=1S/C22H23N3O6S/c1-2-32(30,31)25-12-6-8-16-14(10-12)15(22(29)24-16)11-18-13(7-9-20(27)28)21-17(23-18)4-3-5-19(21)26/h6,8,10-11,23,25H,2-5,7,9H2,1H3,(H,24,29)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324258 ((Z)-3-(2-{[5-(Allylsulfonyl)-2-oxoindolin-3-yliden...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)CC=C)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C23H22N2O6S/c1-2-10-32(30,31)13-6-8-17-15(11-13)16(23(29)25-17)12-19-14(7-9-21(27)28)22-18(24-19)4-3-5-20(22)26/h2,6,8,11-12,24H,1,3-5,7,9-10H2,(H,25,29)(H,27,28)	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324257 ((Z)-3-(2-{[5-(Ethylsulfonyl)-2-oxoindolin-3-yliden...) Show SMILES CCS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:13.13| Show InChI InChI=1S/C22H22N2O6S/c1-2-31(29,30)12-6-8-16-14(10-12)15(22(28)24-16)11-18-13(7-9-20(26)27)21-17(23-18)4-3-5-19(21)25/h6,8,10-11,23H,2-5,7,9H2,1H3,(H,24,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324261 ((Z)-3-{4-Oxo-2-[(2-oxo-5-sulfamoylindolin-3-yliden...) Show SMILES NS(=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:12.12| Show InChI InChI=1S/C20H19N3O6S/c21-30(28,29)10-4-6-14-12(8-10)13(20(27)23-14)9-16-11(5-7-18(25)26)19-15(22-16)2-1-3-17(19)24/h4,6,8-9,22H,1-3,5,7H2,(H,23,27)(H,25,26)(H2,21,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324270 ((Z)-3-(4-Oxo-2-{[2-oxo-5-(phenylmethylsulfonamido)...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)Cc4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C27H25N3O6S/c31-24-8-4-7-22-26(24)18(10-12-25(32)33)23(28-22)14-20-19-13-17(9-11-21(19)29-27(20)34)30-37(35,36)15-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,28,30H,4,7-8,10,12,15H2,(H,29,34)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325276 (CHEMBL1223552 | N-(3-(1H-imidazol-1-yl)propyl)-5-(...) Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2cccc(O)c2)cc1C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C27H24N4O3Se/c1-17-23(26(33)29-8-3-10-31-11-9-28-16-31)14-21(35-17)15-24-22-7-6-19(13-25(22)30-27(24)34)18-4-2-5-20(32)12-18/h2,4-7,9,11-16,32H,3,8,10H2,1H3,(H,29,33)(H,30,34)/b24-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325285 ((Z)-5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin...) Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc([se]3)C(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C21H15NO5Se/c1-27-18-9-12(3-6-17(18)23)11-2-5-14-15(20(24)22-16(14)8-11)10-13-4-7-19(28-13)21(25)26/h2-10,23H,1H3,(H,22,24)(H,25,26)/b15-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325314 (5-((6-(3-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...) Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2cccc(O)c2)cc1C(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H27N3O3Se/c1-17-23(26(32)28-9-12-30-10-2-3-11-30)15-21(34-17)16-24-22-8-7-19(14-25(22)29-27(24)33)18-5-4-6-20(31)13-18/h4-8,13-16,31H,2-3,9-12H2,1H3,(H,28,32)(H,29,33)/b24-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325313 (CHEMBL1223549 | N-(2-(diethylamino)ethyl)-5-((6-(3...) Show SMILES CCN(CC)CCNC(=O)c1cc(\C=C2/C(=O)Nc3cc(ccc23)-c2cccc(O)c2)[se]c1C Show InChI InChI=1S/C27H29N3O3Se/c1-4-30(5-2)12-11-28-26(32)23-15-21(34-17(23)3)16-24-22-10-9-19(14-25(22)29-27(24)33)18-7-6-8-20(31)13-18/h6-10,13-16,31H,4-5,11-12H2,1-3H3,(H,28,32)(H,29,33)/b24-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324271 ((Z)-Ethyl 3-(4-Oxo-2-{[2-oxo-5-(phenylsulfonamido)...) Show SMILES CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:9.8| Show InChI InChI=1S/C28H27N3O6S/c1-2-37-26(33)14-12-19-24(29-23-9-6-10-25(32)27(19)23)16-21-20-15-17(11-13-22(20)30-28(21)34)31-38(35,36)18-7-4-3-5-8-18/h3-5,7-8,11,13,15-16,29,31H,2,6,9-10,12,14H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of recombinant aurora A				J Med Chem 53: 5929-41 (2010) Article DOI: 10.1021/jm1001869 BindingDB Entry DOI: 10.7270/Q2XS5VKS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325311 ((Z)-5-((6-(3-hydroxyphenyl)-2-oxoindolin-3-ylidene...) Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2cccc(O)c2)cc1C(O)=O Show InChI InChI=1S/C21H15NO4Se/c1-11-17(21(25)26)9-15(27-11)10-18-16-6-5-13(8-19(16)22-20(18)24)12-3-2-4-14(23)7-12/h2-10,23H,1H3,(H,22,24)(H,25,26)/b18-10-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325281 (5-((6-(2-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...) Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2O)cc1C(=O)NCCN1CCCCO1 Show InChI InChI=1S/C27H27N3O4Se/c1-17-22(26(32)28-10-12-30-11-4-5-13-34-30)15-19(35-17)16-23-21-9-8-18(14-24(21)29-27(23)33)20-6-2-3-7-25(20)31/h2-3,6-9,14-16,31H,4-5,10-13H2,1H3,(H,28,32)(H,29,33)/b23-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325275 (5-((6-(3-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...) Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2cccc(O)c2)cc1C(=O)NCCN1CCCCO1 Show InChI InChI=1S/C27H27N3O4Se/c1-17-23(26(32)28-9-11-30-10-2-3-12-34-30)15-21(35-17)16-24-22-8-7-19(14-25(22)29-27(24)33)18-5-4-6-20(31)13-18/h4-8,13-16,31H,2-3,9-12H2,1H3,(H,28,32)(H,29,33)/b24-16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325282 (CHEMBL1222551 | N-(3-(1H-imidazol-1-yl)propyl)-5-(...) Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2O)cc1C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C27H24N4O3Se/c1-17-22(26(33)29-9-4-11-31-12-10-28-16-31)14-19(35-17)15-23-21-8-7-18(13-24(21)30-27(23)34)20-5-2-3-6-25(20)32/h2-3,5-8,10,12-16,32H,4,9,11H2,1H3,(H,29,33)(H,30,34)/b23-15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325278 (CHEMBL1222466 | N-(2-(dimethylamino)ethyl)-5-((6-(...) Show SMILES CN(C)CCNC(=O)c1cc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2O)[se]c1C Show InChI InChI=1S/C25H25N3O3Se/c1-15-20(24(30)26-10-11-28(2)3)13-17(32-15)14-21-19-9-8-16(12-22(19)27-25(21)31)18-6-4-5-7-23(18)29/h4-9,12-14,29H,10-11H2,1-3H3,(H,26,30)(H,27,31)/b21-14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>100	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-Chk1after 30 mins				Bioorg Med Chem Lett 20: 5065-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.034 BindingDB Entry DOI: 10.7270/Q2NZ87TV
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 105 total )  |  Next  |  Last  >>

Jump to: