Compile Data Set for Download or QSAR

Found 241 hits with Last Name = 'tsai' and Initial = 'ch'   

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))	BDBM50241089 (2-(ethyl(3-(4-(5-(2-(3-fluorophenylamino)-2-oxoeth...) Show SMILES CCN(CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)n[nH]3)ncnc2c1)CCOP(O)(O)=O Show InChI InChI=1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM31837 (2,4-Bisanilinopyrimidine, 10 | Aurora Inhibitor, 3...) Show SMILES CCN1CCN(CC1)C(=O)Cc1ccc(Nc2ncc(F)c(Nc3ccc(cc3)C(=O)Nc3ccccc3Cl)n2)cc1 Show InChI InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370502 (CHEMBL4161600) Show SMILES CCN(C)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1 Show InChI InChI=1S/C31H31ClN6O2/c1-3-38(2)19-22-8-7-11-25(18-22)37-31(39)36-24-14-12-21(13-15-24)16-17-33-29-26-27(32)28(23-9-5-4-6-10-23)40-30(26)35-20-34-29/h4-15,18,20H,3,16-17,19H2,1-2H3,(H,33,34,35)(H2,36,37,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant Aurora A kinase domain (123 to 401 residues) expressed in Sf9 cells after 120 mins by kinase-glo luminesce...				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50277545 (4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...) Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O |c:11| Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair				3D Structure (docked)
Integrin alpha-L (Homo sapiens (Human))	BDBM50021695 (CHEMBL3298195) Show SMILES CCNC(=O)C1(Cc2ccccc2C1)Nc1nc(NC(C)c2ccc(Br)cc2)nc(n1)N1CC2CC1CN2C(=O)c1cccc(c1)C(F)(F)F |THB:29:31:36.37:34,38:37:31.32:34| Show InChI InChI=1S/C36H36BrF3N8O2/c1-3-41-31(50)35(17-24-7-4-5-8-25(24)18-35)46-33-43-32(42-21(2)22-11-13-27(37)14-12-22)44-34(45-33)48-20-28-16-29(48)19-47(28)30(49)23-9-6-10-26(15-23)36(38,39)40/h4-15,21,28-29H,3,16-20H2,1-2H3,(H,41,50)(H2,42,43,44,45,46)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at C-terminal 6xHis-tagged LFA-1 LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of interaction with IC...				Bioorg Med Chem 22: 2353-65 (2014) Article DOI: 10.1016/j.bmc.2014.01.050 BindingDB Entry DOI: 10.7270/Q2Q81FN5
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370442 (CHEMBL4175638) Show SMILES CN(C)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1 Show InChI InChI=1S/C30H29ClN6O2/c1-37(2)18-21-7-6-10-24(17-21)36-30(38)35-23-13-11-20(12-14-23)15-16-32-28-25-26(31)27(22-8-4-3-5-9-22)39-29(25)34-19-33-28/h3-14,17,19H,15-16,18H2,1-2H3,(H,32,33,34)(H2,35,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant Aurora A kinase domain (123 to 401 residues) expressed in Sf9 cells after 120 mins by kinase-glo luminesce...				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50021698 (CHEMBL3298198) Show SMILES CCNC(=O)C1(Cc2ccccc2C1)Nc1nc(NCCc2ccc(Cl)c(Cl)c2)nc(n1)N1CC2CC1CN2S(=O)(=O)c1ccccc1OC(F)(F)F |THB:30:32:37.38:35,39:38:32.33:35| Show InChI InChI=1S/C35H35Cl2F3N8O4S/c1-2-41-30(49)34(17-22-7-3-4-8-23(22)18-34)46-32-43-31(42-14-13-21-11-12-26(36)27(37)15-21)44-33(45-32)47-19-25-16-24(47)20-48(25)53(50,51)29-10-6-5-9-28(29)52-35(38,39)40/h3-12,15,24-25H,2,13-14,16-20H2,1H3,(H,41,49)(H2,42,43,44,45,46)	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	22	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at C-terminal 6xHis-tagged LFA-1 LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of interaction with IC...				Bioorg Med Chem 22: 2353-65 (2014) Article DOI: 10.1016/j.bmc.2014.01.050 BindingDB Entry DOI: 10.7270/Q2Q81FN5
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370444 (CHEMBL4172214) Show SMILES CCN(CC)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1 Show InChI InChI=1S/C32H33ClN6O2/c1-3-39(4-2)20-23-9-8-12-26(19-23)38-32(40)37-25-15-13-22(14-16-25)17-18-34-30-27-28(33)29(24-10-6-5-7-11-24)41-31(27)36-21-35-30/h5-16,19,21H,3-4,17-18,20H2,1-2H3,(H,34,35,36)(H2,37,38,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant Aurora A kinase domain (123 to 401 residues) expressed in Sf9 cells after 120 mins by kinase-glo luminesce...				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50021697 (CHEMBL3298197) Show SMILES CCNC(=O)C1(Cc2ccccc2C1)Nc1nc(NCCc2ccc(Cl)c(Cl)c2)nc(n1)N1CC2CC1CN2C(=O)c1cccc(c1)C(F)(F)F |THB:30:32:37.38:35,39:38:32.33:35| Show InChI InChI=1S/C36H35Cl2F3N8O2/c1-2-42-31(51)35(17-23-6-3-4-7-24(23)18-35)47-33-44-32(43-13-12-21-10-11-28(37)29(38)14-21)45-34(46-33)49-20-26-16-27(49)19-48(26)30(50)22-8-5-9-25(15-22)36(39,40)41/h3-11,14-15,26-27H,2,12-13,16-20H2,1H3,(H,42,51)(H2,43,44,45,46,47)	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	23	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at C-terminal 6xHis-tagged LFA-1 LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of interaction with IC...				Bioorg Med Chem 22: 2353-65 (2014) Article DOI: 10.1016/j.bmc.2014.01.050 BindingDB Entry DOI: 10.7270/Q2Q81FN5
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50370445 (CHEMBL4162506) Show SMILES CN(C)Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C30H29ClN6O2/c1-37(2)18-22-10-6-7-11-24(22)36-30(38)35-23-14-12-20(13-15-23)16-17-32-28-25-26(31)27(21-8-4-3-5-9-21)39-29(25)34-19-33-28/h3-15,19H,16-18H2,1-2H3,(H,32,33,34)(H2,35,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora-B autophosphorylation at Thr232 in human HCT116 cells after 1 hr by Western blot analysis				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581040 (CHEMBL5075431) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cccc(Cl)c2F)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581041 (CHEMBL5091638) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cccc(Cl)c2F)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50021694 (CHEMBL3298661) Show SMILES CCN1\C(=C\C=C\C2=[N+](CCCCCC(=O)NCCCCNC(=O)C3(Cc4ccccc4C3)Nc3nc(NCCc4ccc(Cl)c(Cl)c4)nc(n3)N3CC4CC3CN4S(=O)(=O)c3cccc(c3)C(F)(F)F)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S(O)(=O)=O |c:7,THB:49:51:56.57:54,58:57:51.52:54| Show InChI InChI=1S/C68H76Cl2F3N11O10S3/c1-6-81-56-27-24-50(96(89,90)91)37-52(56)65(2,3)58(81)20-15-21-59-66(4,5)53-38-51(97(92,93)94)25-28-57(53)82(59)33-13-7-8-22-60(85)74-30-11-12-31-75-61(86)67(39-44-16-9-10-17-45(44)40-67)80-63-77-62(76-32-29-43-23-26-54(69)55(70)34-43)78-64(79-63)83-41-48-36-47(83)42-84(48)95(87,88)49-19-14-18-46(35-49)68(71,72)73/h9-10,14-21,23-28,34-35,37-38,47-48H,6-8,11-13,22,29-33,36,39-42H2,1-5H3,(H5-,74,75,76,77,78,79,80,85,86,89,90,91,92,93,94)/p+1	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	28	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at C-terminal 6xHis-tagged LFA-1 LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of interaction with IC...				Bioorg Med Chem 22: 2353-65 (2014) Article DOI: 10.1016/j.bmc.2014.01.050 BindingDB Entry DOI: 10.7270/Q2Q81FN5
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581045 (CHEMBL5089708) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccccc2)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581042 (CHEMBL5078946) Show SMILES CN(C)C1CN(C1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cccc(Cl)c2F)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581043 (CHEMBL5074672) Show SMILES CN(C)[C@H]1CCN(C1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cccc(Cl)c2F)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50021689 (CHEMBL3298411) Show SMILES OC(=O)C1(Cc2ccccc2C1)Nc1nc(NCCc2ccc(Cl)c(Cl)c2)nc(n1)N1CC2CC1CN2C(=O)c1cccc(c1)C(F)(F)F |THB:28:30:35.36:33,37:36:30.31:33| Show InChI InChI=1S/C34H30Cl2F3N7O3/c35-26-9-8-19(12-27(26)36)10-11-40-30-41-31(44-33(29(48)49)15-21-4-1-2-5-22(21)16-33)43-32(42-30)46-18-24-14-25(46)17-45(24)28(47)20-6-3-7-23(13-20)34(37,38)39/h1-9,12-13,24-25H,10-11,14-18H2,(H,48,49)(H2,40,41,42,43,44)	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	37	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at C-terminal 6xHis-tagged LFA-1 LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of interaction with IC...				Bioorg Med Chem 22: 2353-65 (2014) Article DOI: 10.1016/j.bmc.2014.01.050 BindingDB Entry DOI: 10.7270/Q2Q81FN5
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581052 (CHEMBL5078321) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)cc2F)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581044 (CHEMBL5078175) Show SMILES CN(C)CCN(C)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cccc(Cl)c2F)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581046 (CHEMBL5083318) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)cc2)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50370445 (CHEMBL4162506) Show SMILES CN(C)Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C30H29ClN6O2/c1-37(2)18-22-10-6-7-11-24(22)36-30(38)35-23-14-12-20(13-15-23)16-17-32-28-25-26(31)27(21-8-4-3-5-9-21)39-29(25)34-19-33-28/h3-15,19H,16-18H2,1-2H3,(H,32,33,34)(H2,35,36,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full length Aurora-B (1 to 344 residues) expressed in Sf9 cells after 90 mins by kinase-glo luminescence assay				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581051 (CHEMBL5083583) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cc(Cl)ccc2F)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581047 (CHEMBL5089253) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)cc2Cl)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50181911 ((5-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPOXY}...) Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2cc(ccc12)C(=O)c1ccccc1 Show InChI InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)39-19-6-18-38-27-12-14-30-25(21-27)16-17-34(30)22-32(35)36/h3-5,8-17,20-21H,2,6-7,18-19,22H2,1H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay				J Med Chem 49: 1212-6 (2006) Article DOI: 10.1021/jm0510373 BindingDB Entry DOI: 10.7270/Q2QV3M3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM50581055 (CHEMBL5082734) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2cc(F)c(Cl)cc2F)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581049 (CHEMBL5079532) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)c(F)c2)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370514 (CHEMBL4171920) Show SMILES Clc1c(oc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c12)-c1ccccc1 Show InChI InChI=1S/C27H22ClN5O2/c28-23-22-25(30-17-31-26(22)35-24(23)19-7-3-1-4-8-19)29-16-15-18-11-13-21(14-12-18)33-27(34)32-20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,29,30,31)(H2,32,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant Aurora A kinase domain (123 to 401 residues) expressed in Sf9 cells after 120 mins by kinase-glo luminesce...				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370507 (CHEMBL4168861) Show SMILES Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1 Show InChI InChI=1S/C28H24ClN5O2/c1-18-6-5-9-22(16-18)34-28(35)33-21-12-10-19(11-13-21)14-15-30-26-23-24(29)25(20-7-3-2-4-8-20)36-27(23)32-17-31-26/h2-13,16-17H,14-15H2,1H3,(H,30,31,32)(H2,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant Aurora A kinase domain (123 to 401 residues) expressed in Sf9 cells after 120 mins by kinase-glo luminesce...				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370503 (CHEMBL4166291) Show SMILES Cc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C28H24ClN5O2/c1-18-7-11-21(12-8-18)33-28(35)34-22-13-9-19(10-14-22)15-16-30-26-23-24(29)25(20-5-3-2-4-6-20)36-27(23)32-17-31-26/h2-14,17H,15-16H2,1H3,(H,30,31,32)(H2,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant Aurora A kinase domain (123 to 401 residues) expressed in Sf9 cells after 120 mins by kinase-glo luminesce...				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581054 (CHEMBL5076754) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2c(F)cc(Cl)cc2F)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581050 (CHEMBL5070908) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)c(C)c2)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50370495 (CHEMBL4159739) Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C28H24ClN5O2/c1-18-7-5-6-10-22(18)34-28(35)33-21-13-11-19(12-14-21)15-16-30-26-23-24(29)25(20-8-3-2-4-9-20)36-27(23)32-17-31-26/h2-14,17H,15-16H2,1H3,(H,30,31,32)(H2,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full length Aurora-B (1 to 344 residues) expressed in Sf9 cells after 90 mins by kinase-glo luminescence assay				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370442 (CHEMBL4175638) Show SMILES CN(C)Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1 Show InChI InChI=1S/C30H29ClN6O2/c1-37(2)18-21-7-6-10-24(17-21)36-30(38)35-23-13-11-20(12-14-23)15-16-32-28-25-26(31)27(22-8-4-3-5-9-22)39-29(25)34-19-33-28/h3-14,17,19H,15-16,18H2,1-2H3,(H,32,33,34)(H2,35,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora-A autophosphorylation at Thr288 in human HCT116 cells after 1 hr by Western blot analysis				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581056 (CHEMBL5073036) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)c(F)c2F)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50581048 (CHEMBL5093246) Show SMILES CCN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(N[C@H]2CCN(C2)C(=O)c2ccc(Cl)cc2C)n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant GST-tagged N-terminal truncated human Aurora A (123 to 401 residues) expressed in Sf9 insect cell using tetra-LRRASLG pepti...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01806 BindingDB Entry DOI: 10.7270/Q2Q2444S
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50021692 (CHEMBL3298660) Show SMILES OC(=O)C1(Cc2ccccc2C1)Nc1nc(NCCc2ccc(Cl)c(Cl)c2)nc(n1)N1CC2CC1CN2S(=O)(=O)c1cccc(c1)C(F)(F)F |THB:28:30:35.36:33,37:36:30.31:33| Show InChI InChI=1S/C33H30Cl2F3N7O4S/c34-26-9-8-19(12-27(26)35)10-11-39-29-40-30(43-32(28(46)47)15-20-4-1-2-5-21(20)16-32)42-31(41-29)44-17-24-14-23(44)18-45(24)50(48,49)25-7-3-6-22(13-25)33(36,37)38/h1-9,12-13,23-24H,10-11,14-18H2,(H,46,47)(H2,39,40,41,42,43)	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	65	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at C-terminal 6xHis-tagged LFA-1 LBD (unknown origin) expressed in Escherichia coli assessed as inhibition of interaction with IC...				Bioorg Med Chem 22: 2353-65 (2014) Article DOI: 10.1016/j.bmc.2014.01.050 BindingDB Entry DOI: 10.7270/Q2Q81FN5
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370446 (CHEMBL4173353) Show SMILES CCc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1 Show InChI InChI=1S/C23H30N6O3/c1-27-8-5-19(26-16-27)14-28-10-6-23(7-11-28,21(30)31)15-32-20-3-2-17-4-9-29(22(24)25)13-18(17)12-20/h2-3,5,8,12,16H,4,6-7,9-11,13-15H2,1H3,(H3-,24,25,30,31)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant Aurora A kinase domain (123 to 401 residues) expressed in Sf9 cells after 120 mins by kinase-glo luminesce...				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50370509 (CHEMBL4170043) Show SMILES CCc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C29H26ClN5O2/c1-2-20-8-6-7-11-23(20)35-29(36)34-22-14-12-19(13-15-22)16-17-31-27-24-25(30)26(21-9-4-3-5-10-21)37-28(24)33-18-32-27/h3-15,18H,2,16-17H2,1H3,(H,31,32,33)(H2,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full length Aurora-B (1 to 344 residues) expressed in Sf9 cells after 90 mins by kinase-glo luminescence assay				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50370514 (CHEMBL4171920) Show SMILES Clc1c(oc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c12)-c1ccccc1 Show InChI InChI=1S/C27H22ClN5O2/c28-23-22-25(30-17-31-26(22)35-24(23)19-7-3-1-4-8-19)29-16-15-18-11-13-21(14-12-18)33-27(34)32-20-9-5-2-6-10-20/h1-14,17H,15-16H2,(H,29,30,31)(H2,32,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full length Aurora-B (1 to 344 residues) expressed in Sf9 cells after 90 mins by kinase-glo luminescence assay				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370499 (CHEMBL4163926) Show SMILES OC1CCN(Cc2cccc(NC(=O)Nc3ccc(CCNc4ncnc5oc(c(Cl)c45)-c4ccccc4)cc3)c2)CC1 Show InChI InChI=1S/C33H33ClN6O3/c34-29-28-31(36-21-37-32(28)43-30(29)24-6-2-1-3-7-24)35-16-13-22-9-11-25(12-10-22)38-33(42)39-26-8-4-5-23(19-26)20-40-17-14-27(41)15-18-40/h1-12,19,21,27,41H,13-18,20H2,(H,35,36,37)(H2,38,39,42)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant Aurora A kinase domain (123 to 401 residues) expressed in Sf9 cells after 120 mins by kinase-glo luminesce...				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370445 (CHEMBL4162506) Show SMILES CN(C)Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C30H29ClN6O2/c1-37(2)18-22-10-6-7-11-24(22)36-30(38)35-23-14-12-20(13-15-23)16-17-32-28-25-26(31)27(21-8-4-3-5-9-21)39-29(25)34-19-33-28/h3-15,19H,16-18H2,1-2H3,(H,32,33,34)(H2,35,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora-A autophosphorylation at Thr288 in human HCT116 cells after 1 hr by Western blot analysis				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50370503 (CHEMBL4166291) Show SMILES Cc1ccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C28H24ClN5O2/c1-18-7-11-21(12-8-18)33-28(35)34-22-13-9-19(10-14-22)15-16-30-26-23-24(29)25(20-5-3-2-4-6-20)36-27(23)32-17-31-26/h2-14,17H,15-16H2,1H3,(H,30,31,32)(H2,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full length Aurora-B (1 to 344 residues) expressed in Sf9 cells after 90 mins by kinase-glo luminescence assay				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50370507 (CHEMBL4168861) Show SMILES Cc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1 Show InChI InChI=1S/C28H24ClN5O2/c1-18-6-5-9-22(16-18)34-28(35)33-21-12-10-19(11-13-21)14-15-30-26-23-24(29)25(20-7-3-2-4-8-20)36-27(23)32-17-31-26/h2-13,16-17H,14-15H2,1H3,(H,30,31,32)(H2,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full length Aurora-B (1 to 344 residues) expressed in Sf9 cells after 90 mins by kinase-glo luminescence assay				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50370494 (CHEMBL4176720) Show SMILES OC1CCN(Cc2ccccc2NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)CC1 Show InChI InChI=1S/C33H33ClN6O3/c34-29-28-31(36-21-37-32(28)43-30(29)23-6-2-1-3-7-23)35-17-14-22-10-12-25(13-11-22)38-33(42)39-27-9-5-4-8-24(27)20-40-18-15-26(41)16-19-40/h1-13,21,26,41H,14-20H2,(H,35,36,37)(H2,38,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full length Aurora-B (1 to 344 residues) expressed in Sf9 cells after 90 mins by kinase-glo luminescence assay				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370495 (CHEMBL4159739) Show SMILES Cc1ccccc1NC(=O)Nc1ccc(CCNc2ncnc3oc(c(Cl)c23)-c2ccccc2)cc1 Show InChI InChI=1S/C28H24ClN5O2/c1-18-7-5-6-10-22(18)34-28(35)33-21-13-11-19(12-14-21)15-16-30-26-23-24(29)25(20-8-3-2-4-9-20)36-27(23)32-17-31-26/h2-14,17H,15-16H2,1H3,(H,30,31,32)(H2,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant Aurora A kinase domain (123 to 401 residues) expressed in Sf9 cells after 120 mins by kinase-glo luminesce...				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50370499 (CHEMBL4163926) Show SMILES OC1CCN(Cc2cccc(NC(=O)Nc3ccc(CCNc4ncnc5oc(c(Cl)c45)-c4ccccc4)cc3)c2)CC1 Show InChI InChI=1S/C33H33ClN6O3/c34-29-28-31(36-21-37-32(28)43-30(29)24-6-2-1-3-7-24)35-16-13-22-9-11-25(12-10-22)38-33(42)39-26-8-4-5-23(19-26)20-40-17-14-27(41)15-18-40/h1-12,19,21,27,41H,13-18,20H2,(H,35,36,37)(H2,38,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full length Aurora-B (1 to 344 residues) expressed in Sf9 cells after 90 mins by kinase-glo luminescence assay				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50370446 (CHEMBL4173353) Show SMILES CCc1cccc(NC(=O)Nc2ccc(CCNc3ncnc4oc(c(Cl)c34)-c3ccccc3)cc2)c1 Show InChI InChI=1S/C23H30N6O3/c1-27-8-5-19(26-16-27)14-28-10-6-23(7-11-28,21(30)31)15-32-20-3-2-17-4-9-29(22(24)25)13-18(17)12-20/h2-3,5,8,12,16H,4,6-7,9-11,13-15H2,1H3,(H3-,24,25,30,31)/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full length Aurora-B (1 to 344 residues) expressed in Sf9 cells after 90 mins by kinase-glo luminescence assay				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50370515 (CHEMBL4171792) Show SMILES Clc1c(oc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(CN5CCCCC5)c4)cc3)c12)-c1ccccc1 Show InChI InChI=1S/C33H33ClN6O2/c34-29-28-31(36-22-37-32(28)42-30(29)25-9-3-1-4-10-25)35-17-16-23-12-14-26(15-13-23)38-33(41)39-27-11-7-8-24(20-27)21-40-18-5-2-6-19-40/h1,3-4,7-15,20,22H,2,5-6,16-19,21H2,(H,35,36,37)(H2,38,39,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant Aurora A kinase domain (123 to 401 residues) expressed in Sf9 cells after 120 mins by kinase-glo luminesce...				Eur J Med Chem 151: 533-545 (2018) Article DOI: 10.1016/j.ejmech.2018.03.064 BindingDB Entry DOI: 10.7270/Q2D2216W
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay				J Med Chem 49: 1212-6 (2006) Article DOI: 10.1021/jm0510373 BindingDB Entry DOI: 10.7270/Q2QV3M3P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50179236 (2-(5-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...) Show SMILES CCCc1c(OCCCOc2ccc3n(CC(O)=O)ccc3c2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C24H23F3N2O5/c1-2-4-17-20(8-6-18-22(17)34-28-23(18)24(25,26)27)33-12-3-11-32-16-5-7-19-15(13-16)9-10-29(19)14-21(30)31/h5-10,13H,2-4,11-12,14H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [3H]L-783,483 from human PPAR delta by SPA assay				J Med Chem 49: 1212-6 (2006) Article DOI: 10.1021/jm0510373 BindingDB Entry DOI: 10.7270/Q2QV3M3P
					More data for this Ligand-Target Pair

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