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BDBM50068398 CHEMBL3403388

SMILES: CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2ccc(Cl)cc12)c1cc(F)ccc1F

InChI Key: InChIKey=ZTLKHUMRYPYMTA-NTELJBMBNA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50068398   
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))
BDBM50068398
PNG
(CHEMBL3403388)
Show SMILES CC(=O)N1N=C(S[C@]11[C@H](CCN)COc2ccc(Cl)cc12)c1cc(F)ccc1F |r,c:4|
Show InChI InChI=1/C20H18ClF2N3O2S/c1-11(27)26-20(29-19(25-26)15-9-14(22)3-4-17(15)23)12(6-7-24)10-28-18-5-2-13(21)8-16(18)20/h2-5,8-9,12H,6-7,10,24H2,1H3/t12-,20+/s2
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 17n/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