BDBM50029457 CHEMBL3343422

SMILES: OCCN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1

InChI Key: InChIKey=CQPHVBRWENFOLH-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 = 50029457   

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))	BDBM50029457 (CHEMBL3343422) Show SMILES OCCN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:14,39,t:11,16| Show InChI InChI=1S/C30H43N7O3/c38-19-18-37-16-14-36(15-17-37)13-4-20-40-26-11-12-27-28(21-26)31-22-32-29(27)33-24-7-9-25(10-8-24)35-30(39)34-23-5-2-1-3-6-23/h7-12,21-23,27-28,38H,1-6,13-20H2,(H,31,32,33)(H2,34,35,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	589	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))	BDBM50029457 (CHEMBL3343422) Show SMILES OCCN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:14,39,t:11,16| Show InChI InChI=1S/C30H43N7O3/c38-19-18-37-16-14-36(15-17-37)13-4-20-40-26-11-12-27-28(21-26)31-22-32-29(27)33-24-7-9-25(10-8-24)35-30(39)34-23-5-2-1-3-6-23/h7-12,21-23,27-28,38H,1-6,13-20H2,(H,31,32,33)(H2,34,35,39)	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	436	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