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SMILES: CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)N2CCCC2)cc1

InChI Key: InChIKey=UAPCVPICKSWBTJ-UPDYAAQLSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 336446   
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
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM336446
PNG
(US9744172, Compound UNC1188A)
Show SMILES CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(NC(=O)N2CCCC2)cc1 |r,wD:15.15,(-7.87,-3.73,;-6.54,-2.96,;-5.21,-3.73,;-3.87,-2.96,;-2.54,-3.73,;-1.2,-2.96,;-1.2,-1.42,;.13,-.65,;1.46,-1.42,;2.93,-.94,;3.83,-2.19,;2.93,-3.43,;3.33,-4.92,;4.81,-5.32,;5.21,-6.81,;4.12,-7.9,;4.52,-9.38,;2.64,-7.5,;2.24,-6.01,;1.46,-2.96,;.13,-3.73,;3.33,.54,;4.81,.94,;5.21,2.43,;4.12,3.52,;4.52,5.01,;6.01,5.41,;7.1,4.32,;6.41,6.89,;7.87,7.37,;7.87,8.91,;6.41,9.38,;5.5,8.14,;2.64,3.12,;2.24,1.63,)|
Show InChI InChI=1S/C26H35N7O2/c1-2-3-14-27-25-28-17-22-23(31-33(24(22)30-25)20-10-12-21(34)13-11-20)18-6-8-19(9-7-18)29-26(35)32-15-4-5-16-32/h6-9,17,20-21,34H,2-5,10-16H2,1H3,(H,29,35)(H,27,28,30)/t20?,21-
PDB
MMDB

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US Patent
n/an/a<10n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
The ectopic expression of Mer receptor tyrosine kinase (Mer) has been identified as a tumor cell survival gene product in Acute Lymphoblastic Leukemi...


US Patent US9744172 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z30
More data for this
Ligand-Target Pair