BDBM50029423 CHEMBL3343312

SMILES: CC1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1

InChI Key: InChIKey=YKPYZRLLGKAMJE-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 = 50029423   

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))	BDBM50029423 (CHEMBL3343312) Show SMILES CC1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1 Show InChI InChI=1S/C31H36N6O2/c1-23-14-17-37(18-15-23)16-5-19-39-27-12-13-28-29(20-27)33-22-34-30(28)35-25-8-10-26(11-9-25)36-31(38)32-21-24-6-3-2-4-7-24/h2-4,6-13,20,22-23H,5,14-19,21H2,1H3,(H2,32,36,38)(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	292	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))	BDBM50029423 (CHEMBL3343312) Show SMILES CC1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1 Show InChI InChI=1S/C31H36N6O2/c1-23-14-17-37(18-15-23)16-5-19-39-27-12-13-28-29(20-27)33-22-34-30(28)35-25-8-10-26(11-9-25)36-31(38)32-21-24-6-3-2-4-7-24/h2-4,6-13,20,22-23H,5,14-19,21H2,1H3,(H2,32,36,38)(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	219	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