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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 = 'BDBM336477'   
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))
BDBM336477
PNG
(US9744172, Compound UNC1283A)
Show SMILES CCCCNc1ncc2c(nn(C3CC[C@H](O)CC3)c2n1)-c1ccc(cc1)S(=O)(=O)NCCC(=O)N1CCCCC1 |r,wD:15.15,(-10.31,-4.57,;-8.98,-3.8,;-7.65,-4.57,;-6.31,-3.8,;-4.98,-4.57,;-3.65,-3.8,;-3.65,-2.26,;-2.31,-1.49,;-.98,-2.26,;.49,-1.78,;1.39,-3.03,;.49,-4.27,;.88,-5.76,;2.37,-6.16,;2.77,-7.65,;1.68,-8.74,;2.08,-10.22,;.19,-8.34,;-.2,-6.85,;-.98,-3.8,;-2.31,-4.57,;.88,-.3,;2.37,.1,;2.77,1.59,;1.68,2.68,;.19,2.28,;-.2,.79,;2.08,4.17,;.59,4.57,;1.68,5.66,;3.57,4.57,;3.97,6.05,;5.45,6.45,;5.85,7.94,;4.76,9.03,;7.34,8.34,;8.43,7.25,;9.92,7.65,;10.31,9.14,;9.23,10.22,;7.74,9.83,)|
Show InChI InChI=1S/C29H41N7O4S/c1-2-3-16-30-29-31-20-25-27(34-36(28(25)33-29)22-9-11-23(37)12-10-22)21-7-13-24(14-8-21)41(39,40)32-17-15-26(38)35-18-5-4-6-19-35/h7-8,13-14,20,22-23,32,37H,2-6,9-12,15-19H2,1H3,(H,30,31,33)/t22?,23-
PDB
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