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BDBM177334 US9120749, 700

SMILES: Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CNCCF)CC3)c2c1

InChI Key: InChIKey=JBOMZXJIVVAEEQ-UKIBZPOASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 177334   
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))		BDBM177334
PNG
(US9120749, 700)
Show SMILES Oc1c(Cl)cc(cc1Cl)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CNCCF)CC3)c2c1 |r,wU:23.24,wD:26.28,(-7.44,.38,;-6.1,-.38,;-4.77,.38,;-4.77,1.93,;-3.44,-.38,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-7.44,-2.69,;-2.1,-2.69,;-2.1,-4.23,;-.77,-5,;.56,-4.23,;1.9,-5,;3.23,-4.23,;3.23,-2.69,;4.56,-1.92,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,;1.9,-1.93,;1.9,-.38,;.56,.38,;-.77,-.38,;-2.1,.38,;-2.1,1.93,;-3.44,2.69,;-3.44,4.23,;-4.77,5,;-6.1,4.23,;-7.44,5,;-.77,2.7,;.56,1.93,;.56,-2.69,;-.77,-1.92,)|
Show InChI InChI=1S/C28H30Cl2FN3O2/c29-23-12-19(13-24(30)28(23)36)18-5-8-25-21(11-18)26(22(15-33-25)27(35)17-3-4-17)34-20-6-1-16(2-7-20)14-32-10-9-31/h5,8,11-13,15-17,20,32,36H,1-4,6-7,9-10,14H2,(H,33,34)/t16-,20-
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Similars
US Patent
n/an/a 1.5n/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 US9120749 (2015)


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