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SMILES: CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(CCO)CC1

InChI Key: InChIKey=PUOGLZGBMJBISN-RAKDUWMASA-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 = 336508   
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))		BDBM336508
PNG
(US9744172, Compound UNC1288A)
Show SMILES CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)N1CCN(CCO)CC1 |r,wD:15.15,(-8.28,-4.71,;-6.95,-3.94,;-5.62,-4.71,;-4.28,-3.94,;-2.95,-4.71,;-1.61,-3.94,;-1.61,-2.4,;-.28,-1.63,;1.05,-2.4,;2.52,-1.93,;3.42,-3.17,;2.52,-4.42,;2.92,-5.91,;4.4,-6.31,;4.8,-7.79,;3.71,-8.88,;4.11,-10.37,;2.23,-8.48,;1.83,-7,;1.05,-3.94,;-.28,-4.71,;2.92,-.44,;4.4,-.04,;4.8,1.45,;3.71,2.53,;2.23,2.14,;1.83,.65,;4.11,4.02,;2.62,4.42,;5.6,3.62,;4.51,5.51,;6,5.91,;6.4,7.4,;5.31,8.48,;5.71,9.97,;7.19,10.37,;8.28,9.28,;3.82,8.09,;3.42,6.6,)|
Show InChI InChI=1S/C27H39N7O4S/c1-2-3-12-28-27-29-19-24-25(31-34(26(24)30-27)21-6-8-22(36)9-7-21)20-4-10-23(11-5-20)39(37,38)33-15-13-32(14-16-33)17-18-35/h4-5,10-11,19,21-22,35-36H,2-3,6-9,12-18H2,1H3,(H,28,29,30)/t21?,22-
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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