BDBM50292245 CHEMBL4168177

SMILES: CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(F)c(Cl)c2)n1

InChI Key: InChIKey=NKQFVOKSVRQZKX-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 = 50292245   

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))	BDBM50292245 (CHEMBL4168177) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(F)c(Cl)c2)n1 Show InChI InChI=1S/C19H22ClFN8/c1-12-9-17(27-26-12)23-16-11-18(29-7-5-28(2)6-8-29)25-19(24-16)22-13-3-4-15(21)14(20)10-13/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	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))	BDBM50292245 (CHEMBL4168177) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc(F)c(Cl)c2)n1 Show InChI InChI=1S/C19H22ClFN8/c1-12-9-17(27-26-12)23-16-11-18(29-7-5-28(2)6-8-29)25-19(24-16)22-13-3-4-15(21)14(20)10-13/h3-4,9-11H,5-8H2,1-2H3,(H3,22,23,24,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	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