BindingDB logo
myBDB logout

BDBM50068392 CHEMBL3403382

SMILES: CC(=O)N1N=C(SC11C(CCN)COc2ccccc12)c1cc(F)ccc1F

InChI Key: InChIKey=PAIDEOHMWDDWTK-UHFFFAOYNA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50068392   
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)
BDBM50068392
PNG
(CHEMBL3403382)
Show SMILES CC(=O)N1N=C(SC11C(CCN)COc2ccccc12)c1cc(F)ccc1F
Show InChI InChI=1/C20H19F2N3O2S/c1-12(26)25-20(28-19(24-25)15-10-14(21)6-7-17(15)22)13(8-9-23)11-27-18-5-3-2-4-16(18)20/h2-7,10,13H,8-9,11,23H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5n/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