BDBM50385923 CHEMBL2042036

SMILES: CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(C)c(CN(C)C)s1)c1ccccc1C(F)(F)F

InChI Key: InChIKey=CUQJLXJQXXVHHB-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50385923   

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))	BDBM50385923 (CHEMBL2042036) Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(C)c(CN(C)C)s1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H29F3N4O2S/c1-16-11-25(39-26(16)15-36(3)4)19-12-22(27(33)35-14-19)18-9-10-21(28(34)37)24(13-18)38-17(2)20-7-5-6-8-23(20)29(30,31)32/h5-14,17H,15H2,1-4H3,(H2,33,35)(H2,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair