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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 = 'BDBM308354'   
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))
BDBM308354
PNG
(US9649309, Compound UNC4169A)
Show SMILES CCCCNc1ncc(c(N[C@H]2CC[C@H](O)CC2)n1)-c1ccc(CN2C3CCC2CCC3)cn1 |r,wU:11.10,wD:14.14,TLB:23:24:26.27:29.31.30,(-8.88,-3.81,;-7.54,-3.04,;-6.21,-3.81,;-4.88,-3.04,;-3.54,-3.81,;-2.21,-3.04,;-.88,-3.81,;.46,-3.04,;.46,-1.5,;-.88,-.73,;-.88,.81,;-2.21,1.58,;-3.54,.81,;-4.88,1.58,;-4.88,3.12,;-6.21,3.89,;-3.54,3.89,;-2.21,3.12,;-2.21,-1.5,;1.79,-.73,;3.13,-1.5,;4.46,-.73,;4.46,.81,;5.79,1.58,;7.13,.81,;6.82,-2.22,;5.39,-2.78,;6.04,-1.39,;7.45,-.78,;8.86,-1.39,;8.88,-3.89,;8.25,-2.78,;3.13,1.58,;1.79,.81,)|
Show InChI InChI=1S/C27H40N6O/c1-2-3-15-28-27-30-17-24(26(32-27)31-20-8-12-23(34)13-9-20)25-14-7-19(16-29-25)18-33-21-5-4-6-22(33)11-10-21/h7,14,16-17,20-23,34H,2-6,8-13,15,18H2,1H3,(H2,28,30,31,32)/t20-,21?,22?,23-
PDB
MMDB

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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.810n/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