BDBM50029439 CHEMBL3343317

SMILES: OCC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NCc5ccccc5)cc4)C3C=C2)CC1

InChI Key: InChIKey=UHRNXUUGHMAQNH-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 = 50029439   

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 B (Homo sapiens (Human))	BDBM50029439 (CHEMBL3343317) Show SMILES OCC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NCc5ccccc5)cc4)C3C=C2)CC1 |c:13,39,t:10,15| Show InChI InChI=1S/C31H38N6O3/c38-21-24-13-16-37(17-14-24)15-4-18-40-27-11-12-28-29(19-27)33-22-34-30(28)35-25-7-9-26(10-8-25)36-31(39)32-20-23-5-2-1-3-6-23/h1-3,5-12,19,22,24,28-29,38H,4,13-18,20-21H2,(H2,32,36,39)(H,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	783	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of Aurora-B (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay				Bioorg Med Chem 22: 5813-23 (2014) Article DOI: 10.1016/j.bmc.2014.09.029 BindingDB Entry DOI: 10.7270/Q279468G
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50029439 (CHEMBL3343317) Show SMILES OCC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NCc5ccccc5)cc4)C3C=C2)CC1 |c:13,39,t:10,15| Show InChI InChI=1S/C31H38N6O3/c38-21-24-13-16-37(17-14-24)15-4-18-40-27-11-12-28-29(19-27)33-22-34-30(28)35-25-7-9-26(10-8-25)36-31(39)32-20-23-5-2-1-3-6-23/h1-3,5-12,19,22,24,28-29,38H,4,13-18,20-21H2,(H2,32,36,39)(H,33,34,35)	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	564	n/a	n/a	n/a	n/a	n/a	n/a
Southeast University Curated by ChEMBL					Assay Description Inhibition of Aurora-A (unknown origin) using STK substrate 2-biotin by HTRF-KinEASE-STK assay				Bioorg Med Chem 22: 5813-23 (2014) Article DOI: 10.1016/j.bmc.2014.09.029 BindingDB Entry DOI: 10.7270/Q279468G
					More data for this Ligand-Target Pair