Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for assayid = 7 entry = 50046651   

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))	BDBM50123568 (CHEMBL3622203) Show SMILES [H][C@@]1(CNC(=O)O1)[C@@H](C)Oc1nc(cc2ncsc12)-c1cnn(c1)C(F)F |r| Show InChI InChI=1S/C15H13F2N5O3S/c1-7(11-4-18-15(23)25-11)24-13-12-10(19-6-26-12)2-9(21-13)8-3-20-22(5-8)14(16)17/h2-3,5-7,11,14H,4H2,1H3,(H,18,23)/t7-,11-/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	57	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of aurora A kinase (unknown origin) by enzymatic assay				Bioorg Med Chem Lett 25: 4642-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.037 BindingDB Entry DOI: 10.7270/Q2XD13HG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50123583 (CHEMBL3622206) Show SMILES [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1cc(cc2nscc12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C17H18N4O2S/c1-10(12-5-17(22)18-6-12)23-16-4-11(13-7-19-21(2)8-13)3-15-14(16)9-24-20-15/h3-4,7-10,12H,5-6H2,1-2H3,(H,18,22)/t10-,12-/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	576	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of aurora A kinase (unknown origin) by enzymatic assay				Bioorg Med Chem Lett 25: 4642-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.037 BindingDB Entry DOI: 10.7270/Q2XD13HG
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50123581 (CHEMBL3622207) Show SMILES [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1nc(cc2nscc12)-c1cnn(C)c1 |r| Show InChI InChI=1S/C16H17N5O2S/c1-9(10-3-15(22)17-5-10)23-16-12-8-24-20-14(12)4-13(19-16)11-6-18-21(2)7-11/h4,6-10H,3,5H2,1-2H3,(H,17,22)/t9-,10-/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	800	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of aurora A kinase (unknown origin) by enzymatic assay				Bioorg Med Chem Lett 25: 4642-7 (2015) Article DOI: 10.1016/j.bmcl.2015.08.037 BindingDB Entry DOI: 10.7270/Q2XD13HG
					More data for this Ligand-Target Pair