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BDBM50438555 CHEMBL2413142

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

InChI Key: InChIKey=LLZQBQNEWUCTIB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50438555   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Centromere-associated protein E


(Homo sapiens (Human))
BDBM50438555
PNG
(CHEMBL2413142)
Show SMILES CN(C)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc2scc(Br)c2n1-c1ccc(F)cc1
Show InChI InChI=1S/C24H21BrCl2FN3OS/c1-29(2)9-10-30(13-15-3-8-19(26)20(27)11-15)24(32)21-12-22-23(18(25)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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 32n/an/an/an/an/an/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