BDBM50435700 CHEMBL2392104

SMILES: Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCCCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1

InChI Key: InChIKey=FVYYEKOHBWXBII-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 = 50435700   

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 A (Homo sapiens (Human))	BDBM50435700 (CHEMBL2392104) Show SMILES Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCCCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C30H30ClN9OS/c31-25-15-26(38-30(37-25)42-21-9-7-20(8-10-21)33-29(41)19-5-6-19)34-24-16-32-39-27(24)28-35-22-11-4-18(14-23(22)36-28)17-40-12-2-1-3-13-40/h4,7-11,14-16,19H,1-3,5-6,12-13,17H2,(H,32,39)(H,33,41)(H,35,36)(H,34,37,38)	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	125	n/a	n/a	n/a	n/a	n/a	n/a
Xuzhou Medical College Curated by ChEMBL					Assay Description Inhibition of aurora A (unknown origin) after 1 hr by HTRF assay				Bioorg Med Chem Lett 23: 3523-30 (2013) Article DOI: 10.1016/j.bmcl.2013.04.039 BindingDB Entry DOI: 10.7270/Q26111Q1
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50435700 (CHEMBL2392104) Show SMILES Clc1cc(Nc2c[nH]nc2-c2nc3ccc(CN4CCCCC4)cc3[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1 Show InChI InChI=1S/C30H30ClN9OS/c31-25-15-26(38-30(37-25)42-21-9-7-20(8-10-21)33-29(41)19-5-6-19)34-24-16-32-39-27(24)28-35-22-11-4-18(14-23(22)36-28)17-40-12-2-1-3-13-40/h4,7-11,14-16,19H,1-3,5-6,12-13,17H2,(H,32,39)(H,33,41)(H,35,36)(H,34,37,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Xuzhou Medical College Curated by ChEMBL					Assay Description Inhibition of aurora B (unknown origin) by HTRF assay				Bioorg Med Chem Lett 23: 3523-30 (2013) Article DOI: 10.1016/j.bmcl.2013.04.039 BindingDB Entry DOI: 10.7270/Q26111Q1
					More data for this Ligand-Target Pair