BDBM50292244 CHEMBL4175359

SMILES: Cc1cc(Nc2cc(nc(Nc3ccc(F)c(Cl)c3)n2)N2CCOCC2)n[nH]1

InChI Key: InChIKey=AMMZKHYVESSTRS-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 = 50292244   

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))	BDBM50292244 (CHEMBL4175359) Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(F)c(Cl)c3)n2)N2CCOCC2)n[nH]1 Show InChI InChI=1S/C18H19ClFN7O/c1-11-8-16(26-25-11)22-15-10-17(27-4-6-28-7-5-27)24-18(23-15)21-12-2-3-14(20)13(19)9-12/h2-3,8-10H,4-7H2,1H3,(H3,21,22,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of AURKA (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi...				Eur J Med Chem 145: 805-812 (2018) Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50292244 (CHEMBL4175359) Show SMILES Cc1cc(Nc2cc(nc(Nc3ccc(F)c(Cl)c3)n2)N2CCOCC2)n[nH]1 Show InChI InChI=1S/C18H19ClFN7O/c1-11-8-16(26-25-11)22-15-10-17(27-4-6-28-7-5-27)24-18(23-15)21-12-2-3-14(20)13(19)9-12/h2-3,8-10H,4-7H2,1H3,(H3,21,22,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of AURKB (unknown origin) using FAM-labeled peptide substrate preincubated for 10 mins followed by substrate addition measured after 60 mi...				Eur J Med Chem 145: 805-812 (2018) Article DOI: 10.1016/j.ejmech.2017.12.082 BindingDB Entry DOI: 10.7270/Q2RX9FMM
					More data for this Ligand-Target Pair