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BDBM50068401 CHEMBL3403391

SMILES: CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2cc(F)c(F)cc12)c1cc(F)ccc1F

InChI Key: InChIKey=FUZQTOPGYJUXHS-NBHFDOAFNA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50068401   
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
Kinesin-like protein 1


(Homo sapiens (Human))
BDBM50068401
PNG
(CHEMBL3403391)
Show SMILES CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2cc(F)c(F)cc12)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1/C20H17F4N3O2S/c1-10(28)27-20(30-19(26-27)13-6-12(21)2-3-15(13)22)11(4-5-25)9-29-18-8-17(24)16(23)7-14(18)20/h2-3,6-8,11H,4-5,9,25H2,1H3/t11-,20+/s2
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KSP in human HCT116 cells assessed as phos-histone H3 level by immunofluorescent assay


Bioorg Med Chem 23: 2424-34 (2015)


Article DOI: 10.1016/j.bmc.2015.03.052
More data for this
Ligand-Target Pair