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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Mer' and Ligand = 'BDBM336502'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM336502
PNG
(US9744172, Compound UNC1346A)
Show SMILES CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)C1NC(=O)N(C)C(CC)=C1C(=O)OC |r,wD:15.15,c:39,(-7.88,-4.12,;-6.55,-3.35,;-5.22,-4.12,;-3.88,-3.35,;-2.55,-4.12,;-1.22,-3.35,;-1.22,-1.81,;.12,-1.04,;1.45,-1.81,;2.92,-1.33,;3.82,-2.58,;2.92,-3.82,;3.31,-5.31,;4.8,-5.71,;5.2,-7.2,;4.11,-8.29,;4.51,-9.77,;2.62,-7.89,;2.23,-6.4,;1.45,-3.35,;.12,-4.12,;3.31,.16,;4.8,.56,;5.2,2.04,;4.11,3.13,;2.62,2.73,;2.23,1.25,;4.51,4.62,;6,5.02,;6.4,6.51,;7.88,6.9,;5.31,7.59,;5.71,9.08,;3.82,7.2,;2.73,8.29,;3.13,9.77,;3.42,5.71,;1.93,5.31,;1.54,3.82,;.85,6.4,;-.64,6,)|
Show InChI InChI=1S/C30H39N7O4/c1-5-7-16-31-29-32-17-22-25(35-37(27(22)34-29)20-12-14-21(38)15-13-20)18-8-10-19(11-9-18)26-24(28(39)41-4)23(6-2)36(3)30(40)33-26/h8-11,17,20-21,26,38H,5-7,12-16H2,1-4H3,(H,33,40)(H,31,32,34)/t20?,21-,26?
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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