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SMILES: CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCC1

InChI Key: InChIKey=IRMSFLMMCDOYQT-HSNGWXBGSA-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 = 336460   
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))
BDBM336460
PNG
(US9744172, Compound UNC1148A)
Show SMILES CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCC1 |r,wD:15.15,(-7.06,-3.34,;-5.73,-2.57,;-4.4,-3.34,;-3.06,-2.57,;-1.73,-3.34,;-.4,-2.57,;-.4,-1.03,;.94,-.26,;2.27,-1.03,;3.74,-.55,;4.64,-1.8,;3.74,-3.04,;4.14,-4.53,;5.62,-4.93,;6.02,-6.42,;4.93,-7.5,;5.33,-8.99,;3.45,-7.11,;3.05,-5.62,;2.27,-2.57,;.94,-3.34,;4.14,.94,;5.62,1.34,;6.02,2.82,;4.93,3.91,;3.45,3.51,;3.05,2.03,;5.33,5.4,;3.84,5.8,;6.82,5,;5.73,6.89,;7.06,7.66,;6.29,8.99,;4.96,8.22,)|
Show InChI InChI=1S/C24H32N6O3S/c1-2-3-13-25-24-26-16-21-22(28-30(23(21)27-24)18-7-9-19(31)10-8-18)17-5-11-20(12-6-17)34(32,33)29-14-4-15-29/h5-6,11-12,16,18-19,31H,2-4,7-10,13-15H2,1H3,(H,25,26,27)/t18?,19-
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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