BDBM50234994 CHEMBL4063211

SMILES: CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1

InChI Key: InChIKey=RENORGCYKWQFMO-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 = 50234994   

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
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50234994 (CHEMBL4063211) Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 Show InChI InChI=1S/C28H28N6O2/c1-32(2)12-13-33-18-23(16-31-33)21-10-11-34-25(17-30-27(34)15-21)22-8-9-24(28(29)35)26(14-22)36-19-20-6-4-3-5-7-20/h3-11,14-18H,12-13,19H2,1-2H3,(H2,29,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	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
Aurora kinase A (Homo sapiens (Human))	BDBM50234994 (CHEMBL4063211) Show SMILES CN(C)CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C(N)=O)c(OCc2ccccc2)c1 Show InChI InChI=1S/C28H28N6O2/c1-32(2)12-13-33-18-23(16-31-33)21-10-11-34-25(17-30-27(34)15-21)22-8-9-24(28(29)35)26(14-22)36-19-20-6-4-3-5-7-20/h3-11,14-18H,12-13,19H2,1-2H3,(H2,29,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80E+3	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