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BDBM50068391 CHEMBL3402352

SMILES: CN(C)CCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F

InChI Key: InChIKey=CIJIDZKZWPURHK-UHFFFAOYNA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50068391   
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)
BDBM50068391
PNG
(CHEMBL3402352)
Show SMILES CN(C)CCCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F
Show InChI InChI=1/C22H23F2N3O2S/c1-26(2)12-5-8-20(28)27-22(11-13-29-19-7-4-3-6-17(19)22)30-21(25-27)16-14-15(23)9-10-18(16)24/h3-4,6-7,9-10,14H,5,8,11-13H2,1-2H3
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MMDB

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Article
PubMed
n/an/an/an/a 263n/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)

More data for this
Ligand-Target Pair