BDBM50372017 CHEMBL1589017

SMILES: Oc1c2CN(Cc3ccccc3)C(=O)c2nc2cc(nn12)-c1ccco1

InChI Key: InChIKey=SUABILFKBOYEHK-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50372017   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aurora kinase A (Homo sapiens (Human))	BDBM50372017 (CHEMBL1589017) Show SMILES Oc1c2CN(Cc3ccccc3)C(=O)c2nc2cc(nn12)-c1ccco1 Show InChI InChI=1S/C19H14N4O3/c24-18-13-11-22(10-12-5-2-1-3-6-12)19(25)17(13)20-16-9-14(21-23(16)18)15-7-4-8-26-15/h1-9,21H,10-11H2	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	560	n/a	n/a	n/a	n/a	n/a	n/a
Nirma University Curated by ChEMBL					Assay Description Inhibition of Aurora A kinase (unknown origin)				Eur J Med Chem 140: 1-19 (2017) Article DOI: 10.1016/j.ejmech.2017.08.045 BindingDB Entry DOI: 10.7270/Q2WD4385
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50372017 (CHEMBL1589017) Show SMILES Oc1c2CN(Cc3ccccc3)C(=O)c2nc2cc(nn12)-c1ccco1 Show InChI InChI=1S/C19H14N4O3/c24-18-13-11-22(10-12-5-2-1-3-6-12)19(25)17(13)20-16-9-14(21-23(16)18)15-7-4-8-26-15/h1-9,21H,10-11H2	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	1.51E+4	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 kinase				Bioorg Med Chem Lett 18: 1623-7 (2008) Article DOI: 10.1016/j.bmcl.2008.01.068 BindingDB Entry DOI: 10.7270/Q261115V
					More data for this Ligand-Target Pair