Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50039478   

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))	BDBM50353271 (CHEMBL1830670) Show SMILES COc1ccc(cc1)-c1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C25H19N3O3S/c1-31-20-14-12-18(13-15-20)22-16-24-26-17-23(32(29,30)21-10-6-3-7-11-21)25(28(24)27-22)19-8-4-2-5-9-19/h2-17H,1H3	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
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...				Eur J Med Chem 46: 3690-5 (2011) Article DOI: 10.1016/j.ejmech.2011.05.033 BindingDB Entry DOI: 10.7270/Q2FX7BFK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50353272 (CHEMBL1830673) Show SMILES Brc1c(nn2c(-c3ccccc3)c(cnc12)S(=O)(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H16BrN3O2S/c25-21-22(17-10-4-1-5-11-17)27-28-23(18-12-6-2-7-13-18)20(16-26-24(21)28)31(29,30)19-14-8-3-9-15-19/h1-16H	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	39	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...				Eur J Med Chem 46: 3690-5 (2011) Article DOI: 10.1016/j.ejmech.2011.05.033 BindingDB Entry DOI: 10.7270/Q2FX7BFK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM22984 ((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r| Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...				Eur J Med Chem 46: 3690-5 (2011) Article DOI: 10.1016/j.ejmech.2011.05.033 BindingDB Entry DOI: 10.7270/Q2FX7BFK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50353273 (CHEMBL1830669) Show SMILES O=S(=O)(c1ccccc1)c1cnc2cc(nn2c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H17N3O2S/c28-30(29,20-14-8-3-9-15-20)22-17-25-23-16-21(18-10-4-1-5-11-18)26-27(23)24(22)19-12-6-2-7-13-19/h1-17H	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	51	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...				Eur J Med Chem 46: 3690-5 (2011) Article DOI: 10.1016/j.ejmech.2011.05.033 BindingDB Entry DOI: 10.7270/Q2FX7BFK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50353274 (CHEMBL1830668) Show SMILES Cc1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C19H15N3O2S/c1-14-12-18-20-13-17(25(23,24)16-10-6-3-7-11-16)19(22(18)21-14)15-8-4-2-5-9-15/h2-13H,1H3	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	101	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...				Eur J Med Chem 46: 3690-5 (2011) Article DOI: 10.1016/j.ejmech.2011.05.033 BindingDB Entry DOI: 10.7270/Q2FX7BFK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50353275 (CHEMBL1830680) Show SMILES O=S(=O)(c1ccccc1)c1cnc2ncnn2c1-c1ccccc1 Show InChI InChI=1S/C17H12N4O2S/c22-24(23,14-9-5-2-6-10-14)15-11-18-17-19-12-20-21(17)16(15)13-7-3-1-4-8-13/h1-12H	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	104	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...				Eur J Med Chem 46: 3690-5 (2011) Article DOI: 10.1016/j.ejmech.2011.05.033 BindingDB Entry DOI: 10.7270/Q2FX7BFK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50353276 (CHEMBL1830671) Show SMILES Clc1ccc(cc1)-c1cc2ncc(c(-c3ccccc3)n2n1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C24H16ClN3O2S/c25-19-13-11-17(12-14-19)21-15-23-26-16-22(31(29,30)20-9-5-2-6-10-20)24(28(23)27-21)18-7-3-1-4-8-18/h1-16H	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...				Eur J Med Chem 46: 3690-5 (2011) Article DOI: 10.1016/j.ejmech.2011.05.033 BindingDB Entry DOI: 10.7270/Q2FX7BFK
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50353277 (CHEMBL1830681) Show SMILES Clc1ccc(cc1)-c1c(cnc2ncnn12)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H11ClN4O2S/c18-13-8-6-12(7-9-13)16-15(10-19-17-20-11-21-22(16)17)25(23,24)14-4-2-1-3-5-14/h1-11H	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	9.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Umm Al-Qura University Curated by ChEMBL					Assay Description Inhibition of GST-tagged Aurora A kinase expressed in insect cells assessed as inhibition of [33P]gamma-ATP incorporation in substrate after 60 mins ...				Eur J Med Chem 46: 3690-5 (2011) Article DOI: 10.1016/j.ejmech.2011.05.033 BindingDB Entry DOI: 10.7270/Q2FX7BFK
					More data for this Ligand-Target Pair