Compile Data Set for Download or QSAR

Found 317 hits with Last Name = 'kuo' and Initial = 'pc'   

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))	BDBM50004205 (MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged Aurora A (1 to 403 residues) (unknown origin) expressed in baculovirus expression system				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM50004205 (MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged Aurora C (1 to 309 residues) (unknown origin) expressed in baculovirus expression system				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50004205 (MK-045 | MK-0457 | TOZASERTIB | US9249124, VX680 |...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His6-tagged Aurora B (62 to 344 residues) (unknown origin) expressed in baculovirus expression system				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50175305 (CHEMBL3600873) Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)| Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.0460	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged Aurora A expressed in Escherichia coli using RRR(GLRRASLG)4R-NH2 as substrate after 40 mins in presence of...				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type FLT3 ITD mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 ITD phosphorylation at 0.1 to 1000 n...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type FLT3 (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 phosphorylation at 0.1 to 1000 nM after 1 hr by...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type FLT3 D835Y mutant (unknown origin) expressed in HEK293T cells assessed as decrease in FLT3 D835Y phosphorylation at 0.1 to 10...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50206389 (CHEMBL3939307) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(CCc3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H20N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,27)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of VEGFR3 (unknown origin)				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 1 (Homo sapiens (Human))	BDBM50206389 (CHEMBL3939307) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(CCc3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H20N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,27)(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of VEGFR1 (unknown origin)				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50206389 (CHEMBL3939307) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(CCc3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H20N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-8,10-11,13-14H,9,12H2,1H3,(H,23,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of VEGFR2 (unknown origin)				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human C-src using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human TRKA using poly (Glu,Tyr) 4:1 as substrate in presence of 33P-gamma ATP by hotspot kinase assay				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50096120 (CHEMBL3593291) Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCC(N)C3)s2)no1 Show InChI InChI=1S/C24H27N9O2S/c1-3-18-10-21(32-35-18)30-23(34)29-17-6-4-15(5-7-17)19-12-26-24(36-19)31-20-11-22(28-14(2)27-20)33-9-8-16(25)13-33/h4-7,10-12,16H,3,8-9,13,25H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,34)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50095991 (CHEMBL3593290) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1 Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of FLT3 ITD D835Y mutant (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand additio...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50096123 (CHEMBL3593287) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(C)on3)cc2)nc(C)n1 Show InChI InChI=1S/C24H27N9O2S/c1-15-12-21(31-35-15)29-23(34)28-18-6-4-17(5-7-18)19-14-25-24(36-19)30-20-13-22(27-16(2)26-20)33-10-8-32(3)9-11-33/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,27,30)(H2,28,29,31,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50095991 (CHEMBL3593290) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1 Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of FLT3 ITD F691L mutant (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand additio...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50096122 (CHEMBL3593288) Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1 Show InChI InChI=1S/C25H29N9O2S/c1-4-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16(2)27-21)34-11-9-33(3)10-12-34/h5-8,13-15H,4,9-12H2,1-3H3,(H,26,27,28,31)(H2,29,30,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50095991 (CHEMBL3593290) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1 Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of FLT3 ITD mutant (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand addition for ...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50095991 (CHEMBL3593290) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1 Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type FLT3 (unknown origin) phosphorylation expressed in HEK293T cells preincubated for 1 hr followed by FLT3 ligand addition for 5...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Aurora kinase C (Homo sapiens (Human))	BDBM50175305 (CHEMBL3600873) Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)| Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-	PDB NCI pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged Aurora C (1 to 275 end residues) expressed in baculovirus expression system using G...				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50096120 (CHEMBL3593291) Show SMILES CCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCC(N)C3)s2)no1 Show InChI InChI=1S/C24H27N9O2S/c1-3-18-10-21(32-35-18)30-23(34)29-17-6-4-15(5-7-17)19-12-26-24(36-19)31-20-11-22(28-14(2)27-20)33-9-8-16(25)13-33/h4-7,10-12,16H,3,8-9,13,25H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,34)	PDB 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	14	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50175305 (CHEMBL3600873) Show SMILES OC(=O)[C@@]1(Cc2cccc(Nc3nccs3)n2)CC[C@@H](CC1)Oc1cccc(Cl)c1F |r,wU:3.2,wD:19.24,(2.4,1.65,;1.33,2.27,;1.34,3.5,;,1.54,;-1.33,2.27,;-2.67,1.5,;-2.64,-.04,;-3.96,-.84,;-5.31,-.09,;-5.34,1.45,;-6.69,2.19,;-8,1.39,;-8.11,-.13,;-9.61,-.48,;-10.41,.83,;-9.4,2,;-4.02,2.24,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,;-1.33,.77,;0,-3.08,;1.34,-3.85,;2.67,-3.07,;4.01,-3.84,;4.01,-5.38,;2.68,-6.15,;2.68,-7.39,;1.34,-5.39,;.28,-6.01,)| Show InChI InChI=1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)/t15-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length N-terminal GST-tagged Aurora B (1 to 344 end residues) expressed in baculovirus expression system coexpre...				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50096123 (CHEMBL3593287) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(C)on3)cc2)nc(C)n1 Show InChI InChI=1S/C24H27N9O2S/c1-15-12-21(31-35-15)29-23(34)28-18-6-4-17(5-7-18)19-14-25-24(36-19)30-20-13-22(27-16(2)26-20)33-10-8-32(3)9-11-33/h4-7,12-14H,8-11H2,1-3H3,(H,25,26,27,30)(H2,28,29,31,34)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50096119 (CHEMBL3593292) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(on3)C3CC3)cc2)nc(C)n1 Show InChI InChI=1S/C27H31N9O2S/c1-3-35-10-12-36(13-11-35)25-15-23(29-17(2)30-25)33-27-28-16-22(39-27)19-6-8-20(9-7-19)31-26(37)32-24-14-21(38-34-24)18-4-5-18/h6-9,14-16,18H,3-5,10-13H2,1-2H3,(H,28,29,30,33)(H2,31,32,34,37)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50206412 (CHEMBL3986609) Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 Show InChI InChI=1S/C23H18N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-14,27H,(H,24,28)(H,25,26)(H,29,30)/b12-11-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50436695 (CHEMBL2398642) Show SMILES OC1CCN(CCOc2ccc(cc2)-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)CC1 Show InChI InChI=1S/C34H36N6O4/c41-28-15-18-40(19-16-28)20-21-43-29-12-8-25(9-13-29)31-22-30-32(36-23-37-33(30)44-31)35-17-14-24-6-10-27(11-7-24)39-34(42)38-26-4-2-1-3-5-26/h1-13,22-23,28,41H,14-21H2,(H,35,36,37)(H2,38,39,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase B (unknown origin)				J Med Chem 56: 5247-60 (2014) Article DOI: 10.1021/jm4006059 BindingDB Entry DOI: 10.7270/Q2J104K6
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50436696 (CHEMBL2398658) Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1 Show InChI InChI=1S/C33H36N6O3/c1-3-39(4-2)20-21-41-28-16-12-25(13-17-28)30-22-29-31(35-23-36-32(29)42-30)34-19-18-24-10-14-27(15-11-24)38-33(40)37-26-8-6-5-7-9-26/h5-17,22-23H,3-4,18-21H2,1-2H3,(H,34,35,36)(H2,37,38,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...				J Med Chem 56: 5247-60 (2014) Article DOI: 10.1021/jm4006059 BindingDB Entry DOI: 10.7270/Q2J104K6
					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
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519727 (CHEMBL4448198) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)ncn1 Show InChI InChI=1S/C18H21N7S/c1-2-24-7-9-25(10-8-24)17-11-16(21-13-22-17)23-18-20-12-15(26-18)14-3-5-19-6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,20,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	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 wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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 Aurora kinase A (unknown origin)				J Med Chem 56: 5247-60 (2014) Article DOI: 10.1021/jm4006059 BindingDB Entry DOI: 10.7270/Q2J104K6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase A (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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 Aurora kinase A catalytic domain (123 to 401 amino acids) (unknown origin) expressed in sf9 cells using tetra(LRRWSLG) as su...				J Med Chem 56: 5247-60 (2014) Article DOI: 10.1021/jm4006059 BindingDB Entry DOI: 10.7270/Q2J104K6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50096124 (CHEMBL3593286) Show SMILES Cc1nc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(n1)N1CCNCC1 Show InChI InChI=1S/C25H25ClN8OS/c1-16-29-22(14-23(30-16)34-11-9-27-10-12-34)33-25-28-15-21(36-25)17-5-7-19(8-6-17)31-24(35)32-20-4-2-3-18(26)13-20/h2-8,13-15,27H,9-12H2,1H3,(H2,31,32,35)(H,28,29,30,33)	PDB 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	20	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50096121 (CHEMBL3593289) Show SMILES CCCCc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(Nc3cc(nc(C)n3)N3CCN(C)CC3)s2)no1 Show InChI InChI=1S/C27H33N9O2S/c1-4-5-6-21-15-24(34-38-21)32-26(37)31-20-9-7-19(8-10-20)22-17-28-27(39-22)33-23-16-25(30-18(2)29-23)36-13-11-35(3)12-14-36/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,28,29,30,33)(H2,31,32,34,37)	PDB 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	22	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type GST-tagged FLT3 kinase domain (Y567 to S993) (unknown origin) expressed in baculovirus infected insect Sf9 cells using Her2 p...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					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
Aurora kinase A (Homo sapiens (Human))	BDBM50436691 (CHEMBL2398657) Show SMILES CN(C)CCOc1ccc(cc1)-c1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2o1 Show InChI InChI=1S/C31H32N6O3/c1-37(2)18-19-39-26-14-10-23(11-15-26)28-20-27-29(33-21-34-30(27)40-28)32-17-16-22-8-12-25(13-9-22)36-31(38)35-24-6-4-3-5-7-24/h3-15,20-21H,16-19H2,1-2H3,(H,32,33,34)(H2,35,36,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB 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 kinase A (unknown origin)				J Med Chem 56: 5247-60 (2014) Article DOI: 10.1021/jm4006059 BindingDB Entry DOI: 10.7270/Q2J104K6
					More data for this Ligand-Target Pair				3D Structure (crystal)
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
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247630 (CHEMBL4068500) Show SMILES Cc1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C25H44N10/c1-20-17-24(31-22-9-14-27-15-10-22)32-25(30-20)29-18-23-19-35(34-33-23)16-6-12-26-11-5-13-28-21-7-3-2-4-8-21/h17,19,21-22,26-28H,2-16,18H2,1H3,(H2,29,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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 Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50519732 (CHEMBL4483070) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccccc2)nc(C)n1 Show InChI InChI=1S/C20H24N6S/c1-3-25-9-11-26(12-10-25)19-13-18(22-15(2)23-19)24-20-21-14-17(27-20)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,21,22,23,24)	PDB UniProtKB/SwissProt 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
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) (unknown origin) expressed in baculovir...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519722 (CHEMBL4475875) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccccn2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-6-4-5-7-20-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB 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
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50095991 (CHEMBL3593290) Show SMILES CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccc(NC(=O)Nc3cc(CC)on3)cc2)nc(C)n1 Show InChI InChI=1S/C19H25N7O5/c1-2-21-18(29)15-13(27)14(28)19(31-15)26-10-22-12-16(20)23-11(24-17(12)26)4-3-5-25-6-8-30-9-7-25/h10,13-15,19,27-28H,2,5-9H2,1H3,(H,21,29)(H2,20,23,24)/t13-,14+,15+,19?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged VEGFR2 kinase domain (V789 to V1356) (unknown origin) expressed in insect Sf9 cells using polyGlu4:Tyr peptide a...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50096115 (CHEMBL3593296) Show SMILES Cc1cc(NC(=O)Nc2ccc(cc2)-c2cnc(NC(=O)c3ccc(OCCN4CCOCC4)cc3)s2)no1 Show InChI InChI=1S/C27H28N6O5S/c1-18-16-24(32-38-18)30-26(35)29-21-6-2-19(3-7-21)23-17-28-27(39-23)31-25(34)20-4-8-22(9-5-20)37-15-12-33-10-13-36-14-11-33/h2-9,16-17H,10-15H2,1H3,(H,28,31,34)(H2,29,30,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged Aurora-A kinase domain (S123 to S401) (unknown origin) expressed in insect Sf9 cells using tetra(LRRASLG) peptid...				Eur J Med Chem 100: 151-61 (2015) Article DOI: 10.1016/j.ejmech.2015.05.008 BindingDB Entry DOI: 10.7270/Q25H7J12
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50206412 (CHEMBL3986609) Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 Show InChI InChI=1S/C23H18N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-14,27H,(H,24,28)(H,25,26)(H,29,30)/b12-11-	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A (123 to 401 residues) (unknown origin) preincubated for 15 mins followed by tetra(LRRWSLG) substrate addition measu...				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50206393 (CHEMBL3954695) Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cc12 Show InChI InChI=1S/C23H17N5O7S/c29-21(10-11-22(30)31)24-15-3-1-2-14(12-15)23-19-13-16(4-9-20(19)25-26-23)27-36(34,35)18-7-5-17(6-8-18)28(32)33/h1-13,27H,(H,24,29)(H,25,26)(H,30,31)/b11-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 4 (Homo sapiens (Human))	BDBM50247631 (CHEMBL4060426) Show SMILES Cc1cc(NC2CCN(CCC(N)=O)CC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1 Show InChI InChI=1S/C28H49N11O/c1-22-19-27(34-24-9-16-38(17-10-24)18-11-26(29)40)35-28(33-22)32-20-25-21-39(37-36-25)15-6-13-30-12-5-14-31-23-7-3-2-4-8-23/h19,21,23-24,30-31H,2-18,20H2,1H3,(H2,29,40)(H2,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Displacement of [125I]CXCL12 from human CXCR4 expressed in HEK293 cell membranes after 1.5 hrs by Topcount method				J Med Chem 61: 818-833 (2018) Article DOI: 10.1021/acs.jmedchem.7b01322 BindingDB Entry DOI: 10.7270/Q2KH0QRM
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50206406 (CHEMBL3975342) Show SMILES OC(=O)CCC(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12 Show InChI InChI=1S/C23H20N4O5S/c28-21(11-12-22(29)30)24-16-6-4-5-15(13-16)23-19-14-17(9-10-20(19)25-26-23)27-33(31,32)18-7-2-1-3-8-18/h1-10,13-14,27H,11-12H2,(H,24,28)(H,25,26)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50519727 (CHEMBL4448198) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)ncn1 Show InChI InChI=1S/C18H21N7S/c1-2-24-7-9-25(10-8-24)17-11-16(21-13-22-17)23-18-20-12-15(26-18)14-3-5-19-6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,20,21,22,23)	PDB UniProtKB/SwissProt 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
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal 6x-His-tagged c-KIT (547 to 935 residues)/(694 to 753 residues deletion) (unknown origin) expressed in baculovir...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM13534 (CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of Aurora kinase B (unknown origin)				J Med Chem 56: 5247-60 (2014) Article DOI: 10.1021/jm4006059 BindingDB Entry DOI: 10.7270/Q2J104K6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50206409 (CHEMBL3983327) Show SMILES OC(=O)\C=C/C(=O)Nc1cccc(c1)-c1n[nH]c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12 Show InChI InChI=1S/C23H17FN4O5S/c24-15-4-7-18(8-5-15)34(32,33)28-17-6-9-20-19(13-17)23(27-26-20)14-2-1-3-16(12-14)25-21(29)10-11-22(30)31/h1-13,28H,(H,25,29)(H,26,27)(H,30,31)/b11-10-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Taiwan National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length His-tagged Aurora B expressed in baculovirus expression system				Eur J Med Chem 124: 186-199 (2016) Article DOI: 10.1016/j.ejmech.2016.08.026 BindingDB Entry DOI: 10.7270/Q2668G5M
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50519725 (CHEMBL4513768) Show SMILES Cl.CCN1CCN(CC1)c1cc(Nc2ncc(s2)-c2ccncc2)nc(C)n1 Show InChI InChI=1S/C19H23N7S/c1-3-25-8-10-26(11-9-25)18-12-17(22-14(2)23-18)24-19-21-13-16(27-19)15-4-6-20-7-5-15/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,22,23,24)	PDB 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
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of wild type recombinant GST-tagged FLT3 (Y567 to S993 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using...				J Med Chem 62: 11135-11150 (2019) Article DOI: 10.1021/acs.jmedchem.9b01229 BindingDB Entry DOI: 10.7270/Q2BV7M1W
					More data for this Ligand-Target Pair

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