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BDBM336512 US9744172, Compound UNC1285A

SMILES: CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(N2CCN(CC)CC2)c(F)c1

InChI Key: InChIKey=VNBSIHDGTFVNQU-MEMLXQNLSA-N

Data: 1 IC50

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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 = 336512   
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))		BDBM336512
PNG
(US9744172, Compound UNC1285A)
Show SMILES CCCCNc1ncc2c(nn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(N2CCN(CC)CC2)c(F)c1 |r,wU:12.11,wD:15.15,(-7.29,-4.32,;-5.95,-3.55,;-4.62,-4.32,;-3.29,-3.55,;-1.95,-4.32,;-.62,-3.55,;-.62,-2.01,;.72,-1.24,;2.05,-2.01,;3.51,-1.53,;4.42,-2.78,;3.51,-4.02,;3.91,-5.51,;5.4,-5.91,;5.8,-7.4,;4.71,-8.48,;5.11,-9.97,;3.22,-8.09,;2.82,-6.6,;2.05,-3.55,;.72,-4.32,;3.91,-.04,;2.82,1.05,;3.22,2.53,;4.71,2.93,;5.11,4.42,;6.6,4.82,;6.99,6.31,;5.91,7.4,;6.3,8.88,;5.22,9.97,;4.42,7,;4.02,5.51,;5.8,1.84,;7.29,2.24,;5.4,.36,)|
Show InChI InChI=1S/C27H38FN7O/c1-3-5-12-29-27-30-18-22-25(32-35(26(22)31-27)20-7-9-21(36)10-8-20)19-6-11-24(23(28)17-19)34-15-13-33(4-2)14-16-34/h6,11,17-18,20-21,36H,3-5,7-10,12-16H2,1-2H3,(H,29,30,31)/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