BDBM50235007 CHEMBL4087758

SMILES: CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2F)c1

InChI Key: InChIKey=AQIQDIPUFWRILR-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 = 50235007   

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))	BDBM50235007 (CHEMBL4087758) Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2F)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)11-12-34-17-22(15-32-34)19-9-10-35-25(16-31-27(35)14-19)20-7-8-23(28(30)36)26(13-20)37-18-21-5-3-4-6-24(21)29/h3-10,13-17H,11-12,18H2,1-2H3,(H2,30,36)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of Aurora A (unknown origin)				Eur J Med Chem 126: 1083-1106 (2017) Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50235007 (CHEMBL4087758) Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2F)c1 Show InChI InChI=1S/C28H27FN6O2/c1-33(2)11-12-34-17-22(15-32-34)19-9-10-35-25(16-31-27(35)14-19)20-7-8-23(28(30)36)26(13-20)37-18-21-5-3-4-6-24(21)29/h3-10,13-17H,11-12,18H2,1-2H3,(H2,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged full-length recombinant human NEK2 expressed in baculovirus infected sf21 cells using biotin labelled-STK-3 subs...				Eur J Med Chem 126: 1083-1106 (2017) Article DOI: 10.1016/j.ejmech.2016.12.026 BindingDB Entry DOI: 10.7270/Q2GT5QFN
					More data for this Ligand-Target Pair