BDBM50029444 CHEMBL3343318

SMILES: O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCOCC4)C=CC23)cc1

InChI Key: InChIKey=NSVICOOGAFNGHP-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 = 50029444   

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))	BDBM50029444 (CHEMBL3343318) Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCOCC4)C=CC23)cc1 |c:18,34,t:16,21| Show InChI InChI=1S/C28H38N6O3/c35-28(32-21-5-2-1-3-6-21)33-23-9-7-22(8-10-23)31-27-25-12-11-24(19-26(25)29-20-30-27)37-16-4-13-34-14-17-36-18-15-34/h7-12,19-21,25-26H,1-6,13-18H2,(H,29,30,31)(H2,32,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	264	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))	BDBM50029444 (CHEMBL3343318) Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCOCC4)C=CC23)cc1 |c:18,34,t:16,21| Show InChI InChI=1S/C28H38N6O3/c35-28(32-21-5-2-1-3-6-21)33-23-9-7-22(8-10-23)31-27-25-12-11-24(19-26(25)29-20-30-27)37-16-4-13-34-14-17-36-18-15-34/h7-12,19-21,25-26H,1-6,13-18H2,(H,29,30,31)(H2,32,33,35)	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	193	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