BDBM50160872 CHEMBL3792856

SMILES: COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)ccn3)nn2)c1

InChI Key: InChIKey=XLWVSVQKSFJWJN-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 = 50160872   

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))	BDBM50160872 (CHEMBL3792856) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)ccn3)nn2)c1 Show InChI InChI=1S/C24H22N6O4/c1-15-8-9-25-22(10-15)26-13-18-14-30(29-28-18)19-6-7-21(31)20(12-19)23(32)27-17-5-3-4-16(11-17)24(33)34-2/h3-12,14,31H,13H2,1-2H3,(H,25,26)(H,27,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	6.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora A using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50160872 (CHEMBL3792856) Show SMILES COC(=O)c1cccc(NC(=O)c2cc(ccc2O)-n2cc(CNc3cc(C)ccn3)nn2)c1 Show InChI InChI=1S/C24H22N6O4/c1-15-8-9-25-22(10-15)26-13-18-14-30(29-28-18)19-6-7-21(31)20(12-19)23(32)27-17-5-3-4-16(11-17)24(33)34-2/h3-12,14,31H,13H2,1-2H3,(H,25,26)(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human Aurora B using H-LRRASLG as substrate after 2 hrs by HotSpot assay in presence of 33P-ATP and 10 uM ATP				Bioorg Med Chem 24: 2114-24 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NST
					More data for this Ligand-Target Pair