Compile Data Set for Download or QSAR

Found 82 hits with Last Name = 'yuan' and Initial = 'tt'   

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))	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
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
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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50223090 (3-(4-(3-chloro-4-fluorophenylamino)quinazolin-6-yl...) Show SMILES OCC#Cc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C17H11ClFN3O/c18-14-9-12(4-5-15(14)19)22-17-13-8-11(2-1-7-23)3-6-16(13)20-10-21-17/h3-6,8-10,23H,7H2,(H,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					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
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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5446 (CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...) Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50095259 ((6,7-Dimethoxy-quinazolin-4-yl)-(3-ethynyl-phenyl)...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OC Show InChI InChI=1S/C18H15N3O2/c1-4-12-6-5-7-13(8-12)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h1,5-11H,2-3H3,(H,19,20,21)	PDB MMDB 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 EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					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
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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM5447 (CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...) Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB 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 EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50223084 (CHEMBL251498 | N-(3-chloro-4-fluorophenyl)-6-(3-mo...) Show SMILES Fc1ccc(Nc2ncnc3ccc(cc23)C#CCN2CCOCC2)cc1Cl Show InChI InChI=1S/C21H18ClFN4O/c22-18-13-16(4-5-19(18)23)26-21-17-12-15(3-6-20(17)24-14-25-21)2-1-7-27-8-10-28-11-9-27/h3-6,12-14H,7-11H2,(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					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
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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50223082 (CHEMBL251700 | N-(3-chloro-4-fluorophenyl)-6-(3-(p...) Show SMILES Fc1ccc(Nc2ncnc3ccc(cc23)C#CCN2CCCCC2)cc1Cl Show InChI InChI=1S/C22H20ClFN4/c23-19-14-17(7-8-20(19)24)27-22-18-13-16(6-9-21(18)25-15-26-22)5-4-12-28-10-2-1-3-11-28/h6-9,13-15H,1-3,10-12H2,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50223095 (4-(4-(3-chloro-4-fluorophenylamino)quinazolin-6-yl...) Show SMILES CC(O)C#Cc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 |w:1.1| Show InChI InChI=1S/C18H13ClFN3O/c1-11(24)2-3-12-4-7-17-14(8-12)18(22-10-21-17)23-13-5-6-16(20)15(19)9-13/h4-11,24H,1H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50223092 (5-(4-(3-chloro-4-fluorophenylamino)quinazolin-6-yl...) Show SMILES OCCCC#Cc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C19H15ClFN3O/c20-16-11-14(6-7-17(16)21)24-19-15-10-13(4-2-1-3-9-25)5-8-18(15)22-12-23-19/h5-8,10-12,25H,1,3,9H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324274 ((Z)-N-Methyl-3-(4-oxo-2-{[2-oxo-5-(phenylsulfonami...) Show SMILES CNC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7| Show InChI InChI=1S/C27H26N4O5S/c1-28-25(33)13-11-18-23(29-22-8-5-9-24(32)26(18)22)15-20-19-14-16(10-12-21(19)30-27(20)34)31-37(35,36)17-6-3-2-4-7-17/h2-4,6-7,10,12,14-15,29,31H,5,8-9,11,13H2,1H3,(H,28,33)(H,30,34)	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	117	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50223085 (CHEMBL249509 | N-(3-chloro-4-fluorophenyl)-6-ethyn...) Show SMILES Fc1ccc(Nc2ncnc3ccc(cc23)C#C)cc1Cl Show InChI InChI=1S/C16H9ClFN3/c1-2-10-3-6-15-12(7-10)16(20-9-19-15)21-11-4-5-14(18)13(17)8-11/h1,3-9H,(H,19,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50223093 (4-(4-(3-chloro-4-fluorophenylamino)quinazolin-6-yl...) Show SMILES CC(C)(O)C#Cc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C19H15ClFN3O/c1-19(2,25)8-7-12-3-6-17-14(9-12)18(23-11-22-17)24-13-4-5-16(21)15(20)10-13/h3-6,9-11,25H,1-2H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					More data for this Ligand-Target Pair
Aurora kinase B (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	156	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 B				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))	BDBM50324284 ((Z)-3-{2-[(5-Fluoro-2-oxoindolin-3-ylidene)methyl]...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(F)cc23)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C20H17FN2O4/c21-10-4-6-14-12(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)	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	178	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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50223088 (4-(4-(3-chloro-4-fluorophenylamino)quinazolin-6-yl...) Show SMILES OCCC#Cc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 Show InChI InChI=1S/C18H13ClFN3O/c19-15-10-13(5-6-16(15)20)23-18-14-9-12(3-1-2-8-24)4-7-17(14)21-11-22-18/h4-7,9-11,24H,2,8H2,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					More data for this Ligand-Target Pair
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50223086 (4-(3-(6,7-dimethoxyquinazolin-4-ylamino)phenyl)-2-...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#CC(C)(C)O)c2cc1OC Show InChI InChI=1S/C21H21N3O3/c1-21(2,25)9-8-14-6-5-7-15(10-14)24-20-16-11-18(26-3)19(27-4)12-17(16)22-13-23-20/h5-7,10-13,25H,1-4H3,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50324283 ((Z)-3-{4-Oxo-2-[(2-oxoindolin-3-ylidene)methyl]-4,...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccccc23)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C20H18N2O4/c23-17-7-3-6-15-19(17)12(8-9-18(24)25)16(21-15)10-13-11-4-1-2-5-14(11)22-20(13)26/h1-2,4-5,10,21H,3,6-9H2,(H,22,26)(H,24,25)	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	208	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))	BDBM50324251 ((Z)-3-{2-[(5-Bromo-2-oxoindolin-3-ylidene)methyl]-...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(Br)cc23)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C20H17BrN2O4/c21-10-4-6-14-12(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)	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	210	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 B (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	214	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 B				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))	BDBM50324272 ((Z)-N-[2-Oxo-3-({4-oxo-3-[3-oxo-3-(pyrrolidin-1-yl...) Show SMILES O=C(CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12)N1CCCC1 |w:6.5| Show InChI InChI=1S/C30H30N4O5S/c35-27-10-6-9-25-29(27)21(12-14-28(36)34-15-4-5-16-34)26(31-25)18-23-22-17-19(11-13-24(22)32-30(23)37)33-40(38,39)20-7-2-1-3-8-20/h1-3,7-8,11,13,17-18,31,33H,4-6,9-10,12,14-16H2,(H,32,37)	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	218	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 B (Homo sapiens (Human))	BDBM50324277 ((Z)-N-[3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6...) Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7| Show InChI InChI=1S/C28H30N4O4S/c1-32(2)15-7-10-20-25(29-24-11-6-12-26(33)27(20)24)17-22-21-16-18(13-14-23(21)30-28(22)34)31-37(35,36)19-8-4-3-5-9-19/h3-5,8-9,13-14,16-17,29,31H,6-7,10-12,15H2,1-2H3,(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	235	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 B				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))	BDBM50324255 ((Z)-3-{2-[(5-Acetamido-2-oxoindolin-3-ylidene)meth...) Show SMILES CC(=O)Nc1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:12.12| Show InChI InChI=1S/C22H21N3O5/c1-11(26)23-12-5-7-16-14(9-12)15(22(30)25-16)10-18-13(6-8-20(28)29)21-17(24-18)3-2-4-19(21)27/h5,7,9-10,24H,2-4,6,8H2,1H3,(H,23,26)(H,25,30)(H,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	252	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))	BDBM50324259 ((Z)-3-(2-{[5-(Benzylsulfonyl)-2-oxoindolin-3-ylide...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2ccccc2)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C27H24N2O6S/c30-24-8-4-7-22-26(24)18(10-12-25(31)32)23(28-22)14-20-19-13-17(9-11-21(19)29-27(20)33)36(34,35)15-16-5-2-1-3-6-16/h1-3,5-6,9,11,13-14,28H,4,7-8,10,12,15H2,(H,29,33)(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	271	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))	BDBM50324273 ((Z)-N-(3-{[3-(3-Morpholino-3-oxopropyl)-4-oxo-4,5,...) Show SMILES O=C(CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12)N1CCOCC1 |w:6.5| Show InChI InChI=1S/C30H30N4O6S/c35-27-8-4-7-25-29(27)21(10-12-28(36)34-13-15-40-16-14-34)26(31-25)18-23-22-17-19(9-11-24(22)32-30(23)37)33-41(38,39)20-5-2-1-3-6-20/h1-3,5-6,9,11,17-18,31,33H,4,7-8,10,12-16H2,(H,32,37)	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	281	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 B (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	292	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 B				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 B (Homo sapiens (Human))	BDBM50324276 ((Z)-N-[2-Oxo-3-({4-oxo-3-[3-(pyrrolidin-1-yl)propy...) Show SMILES O=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=Cc1[nH]c2CCCC(=O)c2c1CCCN1CCCC1 |w:20.23| Show InChI InChI=1S/C30H32N4O4S/c35-28-12-6-11-26-29(28)22(10-7-17-34-15-4-5-16-34)27(31-26)19-24-23-18-20(13-14-25(23)32-30(24)36)33-39(37,38)21-8-2-1-3-9-21/h1-3,8-9,13-14,18-19,31,33H,4-7,10-12,15-17H2,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	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 B				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 B (Homo sapiens (Human))	BDBM50324279 ((Z)-3-({3-[3-(Dimethylamino)propyl]-4-oxo-4,5,6,7-...) Show SMILES CN(C)CCCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)N2CCc3ccccc23)[nH]c2CCCC(=O)c12 |w:8.7| Show InChI InChI=1S/C30H32N4O4S/c1-33(2)15-6-8-21-26(31-25-9-5-11-28(35)29(21)25)18-23-22-17-20(12-13-24(22)32-30(23)36)39(37,38)34-16-14-19-7-3-4-10-27(19)34/h3-4,7,10,12-13,17-18,31H,5-6,8-9,11,14-16H2,1-2H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	312	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 B				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 B (Homo sapiens (Human))	BDBM50324274 ((Z)-N-Methyl-3-(4-oxo-2-{[2-oxo-5-(phenylsulfonami...) Show SMILES CNC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:8.7| Show InChI InChI=1S/C27H26N4O5S/c1-28-25(33)13-11-18-23(29-22-8-5-9-24(32)26(18)22)15-20-19-14-16(10-12-21(19)30-27(20)34)31-37(35,36)17-6-3-2-4-7-17/h2-4,6-7,10,12,14-15,29,31H,5,8-9,11,13H2,1H3,(H,28,33)(H,30,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	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 B				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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50223094 (CHEMBL249511 | N-(3-chloro-4-fluorophenyl)-6-(2-ph...) Show SMILES Fc1ccc(Nc2ncnc3ccc(cc23)C#Cc2ccccc2)cc1Cl Show InChI InChI=1S/C22H13ClFN3/c23-19-13-17(9-10-20(19)24)27-22-18-12-16(8-11-21(18)25-14-26-22)7-6-15-4-2-1-3-5-15/h1-5,8-14H,(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50324278 ((Z)-N-[3-({3-[3-(Diethylamino)propyl]-4-oxo-4,5,6,...) Show SMILES CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc23)[nH]c2CCCC(=O)c12 |w:10.9| Show InChI InChI=1S/C30H34N4O4S/c1-3-34(4-2)17-9-12-22-27(31-26-13-8-14-28(35)29(22)26)19-24-23-18-20(15-16-25(23)32-30(24)36)33-39(37,38)21-10-6-5-7-11-21/h5-7,10-11,15-16,18-19,31,33H,3-4,8-9,12-14,17H2,1-2H3,(H,32,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	356	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 B				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))	BDBM50324253 ((Z)-3-(2-{[5-(4-Hydroxy-3-methoxyphenyl)-2-oxoindo...) Show SMILES COc1cc(ccc1O)-c1ccc2NC(=O)C(=Cc3[nH]c4CCCC(=O)c4c3CCC(O)=O)c2c1 |w:17.18| Show InChI InChI=1S/C27H24N2O6/c1-35-24-12-15(6-9-22(24)30)14-5-8-19-17(11-14)18(27(34)29-19)13-21-16(7-10-25(32)33)26-20(28-21)3-2-4-23(26)31/h5-6,8-9,11-13,28,30H,2-4,7,10H2,1H3,(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	357	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))	BDBM50324250 ((Z)-3-{4-Acetyl-2-[(5-fluoro-2-oxoindolin-3-yliden...) Show SMILES CC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1CCC(O)=O |w:8.7| Show InChI InChI=1S/C19H17FN2O4/c1-9-18(10(2)23)12(4-6-17(24)25)16(21-9)8-14-13-7-11(20)3-5-15(13)22-19(14)26/h3,5,7-8,21H,4,6H2,1-2H3,(H,22,26)(H,24,25)	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	362	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 B (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	402	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 B				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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50223091 (4-(3-(6,7-dimethoxyquinazolin-4-ylamino)phenyl)but...) Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#CCCO)c2cc1OC Show InChI InChI=1S/C20H19N3O3/c1-25-18-11-16-17(12-19(18)26-2)21-13-22-20(16)23-15-8-5-7-14(10-15)6-3-4-9-24/h5,7-8,10-13,24H,4,9H2,1-2H3,(H,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	402	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description Inhibition of EGFR				Bioorg Med Chem Lett 17: 6373-7 (2007) Article DOI: 10.1016/j.bmcl.2007.08.061 BindingDB Entry DOI: 10.7270/Q25Q4VT1
					More data for this Ligand-Target Pair
Aurora kinase B (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	441	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 B				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))	BDBM50324260 ((Z)-3-(2-{[5-(4-Fluorobenzylsulfonyl)-2-oxoindolin...) Show SMILES OC(=O)CCc1c(C=C2C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2ccc(F)cc2)[nH]c2CCCC(=O)c12 |w:7.6| Show InChI InChI=1S/C27H23FN2O6S/c28-16-6-4-15(5-7-16)14-37(35,36)17-8-10-21-19(12-17)20(27(34)30-21)13-23-18(9-11-25(32)33)26-22(29-23)2-1-3-24(26)31/h4-8,10,12-13,29H,1-3,9,11,14H2,(H,30,34)(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	443	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))	BDBM50324285 ((Z)-3-{2-[(5-Fluoro-2-oxoindolin-3-ylidene)methyl]...) Show SMILES CC1(C)Cc2[nH]c(C=C3C(=O)Nc4ccc(F)cc34)c(CCC(O)=O)c2C(=O)C1 |w:7.6| Show InChI InChI=1S/C22H21FN2O4/c1-22(2)9-17-20(18(26)10-22)12(4-6-19(27)28)16(24-17)8-14-13-7-11(23)3-5-15(13)25-21(14)29/h3,5,7-8,24H,4,6,9-10H2,1-2H3,(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	456	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 B (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	495	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 B				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

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