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BDBM336381 US9744172, Compound UNC1036A

SMILES: CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC1CCCC1

InChI Key: InChIKey=PIQVSCSDCFROSI-UPDYAAQLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 336381   
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))		BDBM336381
PNG
(US9744172, Compound UNC1036A)
Show SMILES CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NC1CCCC1 |r,wU:15.15,(-8.39,-3.22,;-7.05,-2.45,;-5.72,-3.22,;-4.39,-2.45,;-3.05,-3.22,;-1.72,-2.45,;-1.72,-.91,;-.38,-.14,;.95,-.91,;2.41,-.43,;3.32,-1.68,;2.41,-2.92,;2.81,-4.41,;1.72,-5.5,;2.12,-6.99,;3.61,-7.38,;4.01,-8.87,;4.7,-6.29,;4.3,-4.81,;.95,-2.45,;-.38,-3.22,;2.81,1.06,;4.3,1.46,;4.7,2.94,;3.61,4.03,;2.12,3.63,;1.72,2.15,;4.01,5.52,;5.55,5.52,;2.67,6.29,;4.41,7.01,;5.89,7.41,;6.37,8.87,;7.91,8.87,;8.39,7.41,;7.14,6.5,)|
Show InChI InChI=1S/C26H36N6O3S/c1-2-3-16-27-26-28-17-23-24(30-32(25(23)29-26)20-10-12-21(33)13-11-20)18-8-14-22(15-9-18)36(34,35)31-19-6-4-5-7-19/h8-9,14-15,17,19-21,31,33H,2-7,10-13,16H2,1H3,(H,27,28,29)/t20?,21-
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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