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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 = 'BDBM308339'   
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))
BDBM308339
PNG
(US9649309, Compound UNC4372A)
Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)[N+]#[C-])ncc1-c1ccc(CN2CCCC2)cn1 |r,wU:4.7,wD:1.0,(-5.85,3.85,;-4.52,3.08,;-4.52,1.54,;-3.19,.77,;-1.85,1.54,;-1.85,3.08,;-3.19,3.85,;-.52,.77,;-.52,-.77,;-1.85,-1.54,;-1.85,-3.08,;-3.19,-3.85,;-4.52,-3.08,;-5.85,-3.85,;-7.19,-3.08,;-7.25,-1.46,;-5.85,-.77,;-4.52,-1.54,;-8.57,-.67,;-9.9,.11,;-.52,-3.85,;.82,-3.08,;.82,-1.54,;2.15,-.77,;3.48,-1.54,;4.82,-.77,;4.82,.77,;6.15,1.54,;7.48,.77,;7.48,-.77,;8.95,-1.25,;9.85,,;8.95,1.25,;3.48,1.54,;2.15,.77,)|
Show InChI InChI=1S/C27H31N7O/c1-28-20-5-7-22(8-6-20)32-27-30-17-24(26(33-27)31-21-9-11-23(35)12-10-21)25-13-4-19(16-29-25)18-34-14-2-3-15-34/h4-8,13,16-17,21,23,35H,2-3,9-12,14-15,18H2,(H2,30,31,32,33)/t21-,23-
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



The University of North Carolina at Chapel Hill

US Patent


Assay Description
Briefly, activity assays were performed in a 384 well, polypropylene microplate in a final volume of 50 μL of 50 mM Hepes, Ph 7.4 containing 10 ...


US Patent US9649309 (2017)


BindingDB Entry DOI: 10.7270/Q26Q209H
More data for this
Ligand-Target Pair