BDBM50438554 CHEMBL2413143

SMILES: CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Cl)c2n1-c1ccc(F)cc1

InChI Key: InChIKey=NNTPSCNDUJZDFV-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 = 50438554   

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
Centromere-associated protein E (Homo sapiens (Human))	BDBM50438554 (CHEMBL2413143) Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Cl)c2n1-c1ccc(F)cc1 Show InChI InChI=1S/C24H21Cl3FN3OS/c1-29(2)9-10-30(13-15-3-8-18(25)19(26)11-15)24(32)21-12-22-23(20(27)14-33-22)31(21)17-6-4-16(28)5-7-17/h3-8,11-12,14H,9-10,13H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human ATPase activity of CENP-E motor domain assessed as ADP production after 60 mins by ADP-Glo luminescence assay				Bioorg Med Chem 21: 5488-502 (2013) Article DOI: 10.1016/j.bmc.2013.05.067 BindingDB Entry DOI: 10.7270/Q20G3MKN
					More data for this Ligand-Target Pair