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BDBM177573 US9120749, 940

SMILES: COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](N)CC3)c2c1

InChI Key: InChIKey=HGXBCQGRQAYWQA-QAQDUYKDSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 177573   
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
Maternal embryonic leucine zipper kinase (MELK)


(Homo sapiens (Human))
BDBM177573
PNG
(US9120749, 940)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(C)=O)c(N[C@H]3CC[C@H](N)CC3)c2c1 |r,wU:25.26,wD:22.22,(-7.53,-1.41,;-6.2,-2.18,;-4.87,-1.41,;-3.53,-2.18,;-2.2,-1.41,;-2.2,.13,;-3.53,.9,;-3.53,2.44,;-4.87,.13,;-6.2,.9,;-.86,-2.18,;-.86,-3.72,;.47,-4.49,;1.8,-3.72,;3.14,-4.49,;4.47,-3.72,;4.47,-2.18,;5.8,-1.41,;7.14,-2.18,;5.8,.13,;3.14,-1.41,;3.14,.13,;2.05,1.22,;2.45,2.71,;1.36,3.8,;-.13,3.4,;-1.22,4.49,;-.53,1.91,;.56,.82,;1.8,-2.18,;.47,-1.41,)|
Show InChI InChI=1S/C24H26ClN3O3/c1-13(29)19-12-27-21-8-3-14(15-10-20(25)24(30)22(11-15)31-2)9-18(21)23(19)28-17-6-4-16(26)5-7-17/h3,8-12,16-17,30H,4-7,26H2,1-2H3,(H,27,28)/t16-,17-
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...


US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair