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BDBM50068385 CHEMBL3402346

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

InChI Key: InChIKey=RPYBHCBNJHSWTL-UHFFFAOYNA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50068385   
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))
BDBM50068385
PNG
(CHEMBL3402346)
Show SMILES OCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F |c:5|
Show InChI InChI=1/C18H14F2N2O3S/c19-11-5-6-14(20)12(9-11)17-21-22(16(24)10-23)18(26-17)7-8-25-15-4-2-1-3-13(15)18/h1-6,9,23H,7-8,10H2
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 615n/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