Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50047336   

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))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 1 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 1 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160994 (CHEMBL3794572) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H17N5O6/c1-34-23(31)15-5-2-6-16(10-15)24-22(30)19-12-17(8-9-21(19)29)27-13-20(25-26-27)14-4-3-7-18(11-14)28(32)33/h2-13,29H,1H3,(H,24,30)	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	284	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160878 (CHEMBL3792712) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CCNc3ncnc4ccsc34)nn2)c1 Show InChI InChI=1S/C25H21N7O4S/c1-36-25(35)15-3-2-4-16(11-15)29-24(34)19-12-18(5-6-21(19)33)32-13-17(30-31-32)7-9-26-23-22-20(8-10-37-22)27-14-28-23/h2-6,8,10-14,33H,7,9H2,1H3,(H,29,34)(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	364	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160993 (CHEMBL3793945) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2ccc3nccnc3c2)c1 Show InChI InChI=1S/C25H18N6O4/c1-35-25(34)16-3-2-4-17(11-16)28-24(33)19-13-18(6-8-23(19)32)31-14-22(29-30-31)15-5-7-20-21(12-15)27-10-9-26-20/h2-14,32H,1H3,(H,28,33)	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	607	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160992 (CHEMBL3793405) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C24H18N4O6/c1-32-24(31)15-3-2-4-16(9-15)25-23(30)18-11-17(6-7-20(18)29)28-12-19(26-27-28)14-5-8-21-22(10-14)34-13-33-21/h2-12,29H,13H2,1H3,(H,25,30)	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	638	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50053262 (CHEMBL3322935) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cc(OC)cc(OC)c2)c1 Show InChI InChI=1S/C25H22N4O6/c1-33-19-10-16(11-20(13-19)34-2)22-14-29(28-27-22)18-7-8-23(30)21(12-18)24(31)26-17-6-4-5-15(9-17)25(32)35-3/h4-14,30H,1-3H3,(H,26,31)	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	768	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160880 (CHEMBL3794018) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ncnc4ccsc34)nn2)c1 Show InChI InChI=1S/C24H19N7O4S/c1-35-24(34)14-3-2-4-15(9-14)28-23(33)18-10-17(5-6-20(18)32)31-12-16(29-30-31)11-25-22-21-19(7-8-36-21)26-13-27-22/h2-10,12-13,32H,11H2,1H3,(H,28,33)(H,25,26,27)	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	801	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160994 (CHEMBL3794572) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C23H17N5O6/c1-34-23(31)15-5-2-6-16(10-15)24-22(30)19-12-17(8-9-21(19)29)27-13-20(25-26-27)14-4-3-7-18(11-14)28(32)33/h2-13,29H,1H3,(H,24,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160992 (CHEMBL3793405) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2ccc3OCOc3c2)c1 Show InChI InChI=1S/C24H18N4O6/c1-32-24(31)15-3-2-4-16(9-15)25-23(30)18-11-17(6-7-20(18)29)28-12-19(26-27-28)14-5-8-21-22(10-14)34-13-33-21/h2-12,29H,13H2,1H3,(H,25,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160878 (CHEMBL3792712) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CCNc3ncnc4ccsc34)nn2)c1 Show InChI InChI=1S/C25H21N7O4S/c1-36-25(35)15-3-2-4-16(11-15)29-24(34)19-12-18(5-6-21(19)33)32-13-17(30-31-32)7-9-26-23-22-20(8-10-37-22)27-14-28-23/h2-6,8,10-14,33H,7,9H2,1H3,(H,29,34)(H,26,27,28)	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	2.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160885 (CHEMBL3792621) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3nc4ccccc4o3)nn2)c1 Show InChI InChI=1S/C25H20N6O5/c1-35-24(34)15-5-4-6-16(11-15)27-23(33)19-12-18(9-10-21(19)32)31-14-17(29-30-31)13-26-25-28-20-7-2-3-8-22(20)36-25/h2-12,14,32H,13H2,1H3,(H,26,28)(H,27,33)	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	3.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160911 (CHEMBL3792563) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ccccc3)nn2)c1 Show InChI InChI=1S/C24H21N5O4/c1-33-24(32)16-6-5-9-18(12-16)26-23(31)21-13-20(10-11-22(21)30)29-15-19(27-28-29)14-25-17-7-3-2-4-8-17/h2-13,15,25,30H,14H2,1H3,(H,26,31)	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	5.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50053262 (CHEMBL3322935) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2cc(OC)cc(OC)c2)c1 Show InChI InChI=1S/C25H22N4O6/c1-33-19-10-16(11-20(13-19)34-2)22-14-29(28-27-22)18-7-8-23(30)21(12-18)24(31)26-17-6-4-5-15(9-17)25(32)35-3/h4-14,30H,1-3H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160872 (CHEMBL3792856) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)ccn3)nn2)c1 Show InChI InChI=1S/C24H22N6O4/c1-15-8-9-25-22(10-15)26-13-18-14-30(29-28-18)19-6-7-21(31)20(12-19)23(32)27-17-5-3-4-16(11-17)24(33)34-2/h3-12,14,31H,13H2,1-2H3,(H,25,26)(H,27,32)	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	6.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160876 (CHEMBL3793352) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ccccn3)nn2)c1 Show InChI InChI=1S/C23H20N6O4/c1-33-23(32)15-5-4-6-16(11-15)26-22(31)19-12-18(8-9-20(19)30)29-14-17(27-28-29)13-25-21-7-2-3-10-24-21/h2-12,14,30H,13H2,1H3,(H,24,25)(H,26,31)	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	6.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160993 (CHEMBL3793945) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(nn2)-c2ccc3nccnc3c2)c1 Show InChI InChI=1S/C25H18N6O4/c1-35-25(34)16-3-2-4-17(11-16)28-24(33)19-13-18(6-8-23(19)32)31-14-22(29-30-31)15-5-7-20-21(12-15)27-10-9-26-20/h2-14,32H,1H3,(H,28,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160887 (CHEMBL3792988) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CCNc3ncccn3)nn2)c1 Show InChI InChI=1S/C23H21N7O4/c1-34-22(33)15-4-2-5-16(12-15)27-21(32)19-13-18(6-7-20(19)31)30-14-17(28-29-30)8-11-26-23-24-9-3-10-25-23/h2-7,9-10,12-14,31H,8,11H2,1H3,(H,27,32)(H,24,25,26)	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	7.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160885 (CHEMBL3792621) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3nc4ccccc4o3)nn2)c1 Show InChI InChI=1S/C25H20N6O5/c1-35-24(34)15-5-4-6-16(11-15)27-23(33)19-12-18(9-10-21(19)32)31-14-17(29-30-31)13-26-25-28-20-7-2-3-8-22(20)36-25/h2-12,14,32H,13H2,1H3,(H,26,28)(H,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160896 (CHEMBL3794450) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)on3)nn2)c1 Show InChI InChI=1S/C22H20N6O5/c1-13-8-20(26-33-13)23-11-16-12-28(27-25-16)17-6-7-19(29)18(10-17)21(30)24-15-5-3-4-14(9-15)22(31)32-2/h3-10,12,29H,11H2,1-2H3,(H,23,26)(H,24,30)	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	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160877 (CHEMBL3792583) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)[nH]n3)nn2)c1 Show InChI InChI=1S/C22H21N7O4/c1-13-8-20(27-25-13)23-11-16-12-29(28-26-16)17-6-7-19(30)18(10-17)21(31)24-15-5-3-4-14(9-15)22(32)33-2/h3-10,12,30H,11H2,1-2H3,(H,24,31)(H2,23,25,27)	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	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160887 (CHEMBL3792988) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CCNc3ncccn3)nn2)c1 Show InChI InChI=1S/C23H21N7O4/c1-34-22(33)15-4-2-5-16(12-15)27-21(32)19-13-18(6-7-20(19)31)30-14-17(28-29-30)8-11-26-23-24-9-3-10-25-23/h2-7,9-10,12-14,31H,8,11H2,1H3,(H,27,32)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50160888 (CHEMBL3794376) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ncccn3)nn2)c1 Show InChI InChI=1S/C22H19N7O4/c1-33-21(32)14-4-2-5-15(10-14)26-20(31)18-11-17(6-7-19(18)30)29-13-16(27-28-29)12-25-22-23-8-3-9-24-22/h2-11,13,30H,12H2,1H3,(H,26,31)(H,23,24,25)	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	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160872 (CHEMBL3792856) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)ccn3)nn2)c1 Show InChI InChI=1S/C24H22N6O4/c1-15-8-9-25-22(10-15)26-13-18-14-30(29-28-18)19-6-7-21(31)20(12-19)23(32)27-17-5-3-4-16(11-17)24(33)34-2/h3-12,14,31H,13H2,1-2H3,(H,25,26)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160880 (CHEMBL3794018) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ncnc4ccsc34)nn2)c1 Show InChI InChI=1S/C24H19N7O4S/c1-35-24(34)14-3-2-4-15(9-14)28-23(33)18-10-17(5-6-20(18)32)31-12-16(29-30-31)11-25-22-21-19(7-8-36-21)26-13-27-22/h2-10,12-13,32H,11H2,1H3,(H,28,33)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160876 (CHEMBL3793352) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ccccn3)nn2)c1 Show InChI InChI=1S/C23H20N6O4/c1-33-23(32)15-5-4-6-16(11-15)26-22(31)19-12-18(8-9-20(19)30)29-14-17(27-28-29)13-25-21-7-2-3-10-24-21/h2-12,14,30H,13H2,1H3,(H,24,25)(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160911 (CHEMBL3792563) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ccccc3)nn2)c1 Show InChI InChI=1S/C24H21N5O4/c1-33-24(32)16-6-5-9-18(12-16)26-23(31)21-13-20(10-11-22(21)30)29-15-19(27-28-29)14-25-17-7-3-2-4-8-17/h2-13,15,25,30H,14H2,1H3,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160888 (CHEMBL3794376) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3ncccn3)nn2)c1 Show InChI InChI=1S/C22H19N7O4/c1-33-21(32)14-4-2-5-15(10-14)26-20(31)18-11-17(6-7-19(18)30)29-13-16(27-28-29)12-25-22-23-8-3-9-24-22/h2-11,13,30H,12H2,1H3,(H,26,31)(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160877 (CHEMBL3792583) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)[nH]n3)nn2)c1 Show InChI InChI=1S/C22H21N7O4/c1-13-8-20(27-25-13)23-11-16-12-29(28-26-16)17-6-7-19(30)18(10-17)21(31)24-15-5-3-4-14(9-15)22(32)33-2/h3-10,12,30H,11H2,1-2H3,(H,24,31)(H2,23,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160896 (CHEMBL3794450) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)on3)nn2)c1 Show InChI InChI=1S/C22H20N6O5/c1-13-8-20(26-33-13)23-11-16-12-28(27-25-16)17-6-7-19(29)18(10-17)21(30)24-15-5-3-4-14(9-15)22(31)32-2/h3-10,12,29H,11H2,1-2H3,(H,23,26)(H,24,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) Article DOI: 10.1016/j.bmc.2016.03.042 BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair