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BDBM166137 US9067937, 81

SMILES: CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1

InChI Key: InChIKey=DWJOBCAOSVBMDJ-QAQDUYKDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 166137   
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))		BDBM166137
PNG
(US9067937, 81)
Show SMILES CN(C)[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:6.9,wD:3.2,(-2.06,5.23,;-2.46,3.74,;-3.95,3.35,;-1.37,2.66,;-1.77,1.17,;-.68,.08,;.81,.48,;1.21,1.96,;.12,3.05,;1.9,-.61,;1.9,-2.15,;3.23,-2.92,;3.23,-4.46,;1.9,-5.23,;.56,-4.46,;-.77,-5.23,;-2.1,-4.46,;-2.1,-2.92,;-.77,-2.15,;.56,-2.92,;-3.44,-2.15,;-4.77,-2.92,;-6.1,-2.15,;-7.44,-2.92,;-6.1,-.61,;-7.44,.16,;-4.77,.16,;-4.77,1.7,;-3.44,-.61,;4.56,-2.15,;4.56,-.61,;5.9,-2.92,;6.67,-4.26,;7.44,-2.92,)|
Show InChI InChI=1S/C26H28ClFN4O2/c1-32(2)17-7-5-16(6-8-17)30-23-18(25(33)14-3-4-14)13-29-22-10-9-21(31-24(22)23)15-11-19(27)26(34)20(28)12-15/h9-14,16-17,34H,3-8H2,1-2H3,(H,29,30)/t16-,17-
PDB

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Similars
US Patent
n/an/a 0.5n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair