BDBM50029447 CHEMBL3343320

SMILES: O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCCC4)C=CC23)cc1

InChI Key: InChIKey=GDSIRLSWDHCACM-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 = 50029447   

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))	BDBM50029447 (CHEMBL3343320) Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCCC4)C=CC23)cc1 |c:18,34,t:16,21| Show InChI InChI=1S/C29H40N6O2/c36-29(33-22-8-3-1-4-9-22)34-24-12-10-23(11-13-24)32-28-26-15-14-25(20-27(26)30-21-31-28)37-19-7-18-35-16-5-2-6-17-35/h10-15,20-22,26-27H,1-9,16-19H2,(H,30,31,32)(H2,33,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	221	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))	BDBM50029447 (CHEMBL3343320) Show SMILES O=C(NC1CCCCC1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCCC4)C=CC23)cc1 |c:18,34,t:16,21| Show InChI InChI=1S/C29H40N6O2/c36-29(33-22-8-3-1-4-9-22)34-24-12-10-23(11-13-24)32-28-26-15-14-25(20-27(26)30-21-31-28)37-19-7-18-35-16-5-2-6-17-35/h10-15,20-22,26-27H,1-9,16-19H2,(H,30,31,32)(H2,33,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	103	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