BDBM50292255 CHEMBL4175679

SMILES: CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3OCOc3c2)n1

InChI Key: InChIKey=VTTYFSMWRGIKFX-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 = 50292255   

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))	BDBM50292255 (CHEMBL4175679) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C20H24N8O2/c1-13-9-18(26-25-13)22-17-11-19(28-7-5-27(2)6-8-28)24-20(23-17)21-14-3-4-15-16(10-14)30-12-29-15/h3-4,9-11H,5-8,12H2,1-2H3,(H3,21,22,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	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
Aurora kinase A (Homo sapiens (Human))	BDBM50292255 (CHEMBL4175679) Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Nc2ccc3OCOc3c2)n1 Show InChI InChI=1S/C20H24N8O2/c1-13-9-18(26-25-13)22-17-11-19(28-7-5-27(2)6-8-28)24-20(23-17)21-14-3-4-15-16(10-14)30-12-29-15/h3-4,9-11H,5-8,12H2,1-2H3,(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 Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cell				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