BDBM50029453 CHEMBL3343417

SMILES: CC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1

InChI Key: InChIKey=QLQCSGMKEZSDOV-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 = 50029453   

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))	BDBM50029453 (CHEMBL3343417) Show SMILES CC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:12,37,t:9,14| Show InChI InChI=1S/C30H42N6O2/c1-22-14-17-36(18-15-22)16-5-19-38-26-12-13-27-28(20-26)31-21-32-29(27)33-24-8-10-25(11-9-24)35-30(37)34-23-6-3-2-4-7-23/h8-13,20-23,27-28H,2-7,14-19H2,1H3,(H,31,32,33)(H2,34,35,37)	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	232	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))	BDBM50029453 (CHEMBL3343417) Show SMILES CC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1 |c:12,37,t:9,14| Show InChI InChI=1S/C30H42N6O2/c1-22-14-17-36(18-15-22)16-5-19-38-26-12-13-27-28(20-26)31-21-32-29(27)33-24-8-10-25(11-9-24)35-30(37)34-23-6-3-2-4-7-23/h8-13,20-23,27-28H,2-7,14-19H2,1H3,(H,31,32,33)(H2,34,35,37)	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	157	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