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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine kinase receptor A (TrkA)' and Ligand = 'BDBM226729'   
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 kinase receptor A (TrkA)


(Homo sapiens (Human))
BDBM226729
PNG
(US9328096, 422)
Show SMILES CC1(O)CCC(CC1)NC(=O)c1cc(NC(=O)c2cc(c(Cl)cc2Cl)-c2ccc(F)cn2)n(n1)-c1ccccc1 |(-.04,-4.73,;-1.47,-5.31,;-.19,-6.17,;-2.1,-3.9,;-3.63,-3.74,;-4.53,-4.98,;-3.91,-6.39,;-2.38,-6.55,;-6.07,-4.82,;-6.69,-3.42,;-8.22,-3.25,;-5.79,-2.17,;-4.25,-2.17,;-3.77,-.71,;-2.31,-.23,;-1.16,-1.26,;-1.48,-2.77,;.3,-.78,;1.45,-1.81,;2.91,-1.34,;3.23,.17,;4.7,.64,;2.09,1.2,;.62,.72,;-.52,1.75,;4.06,-2.37,;5.52,-1.89,;6.67,-2.92,;6.34,-4.43,;7.49,-5.46,;4.88,-4.91,;3.74,-3.88,;-5.02,.2,;-6.26,-.71,;-5.02,1.74,;-6.35,2.51,;-6.35,4.05,;-5.02,4.82,;-3.68,4.05,;-3.68,2.51,)|
Show InChI InChI=1S/C29H26Cl2FN5O3/c1-29(40)11-9-18(10-12-29)34-28(39)25-15-26(37(36-25)19-5-3-2-4-6-19)35-27(38)21-13-20(22(30)14-23(21)31)24-8-7-17(32)16-33-24/h2-8,13-16,18,40H,9-12H2,1H3,(H,34,39)(H,35,38)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.96n/an/an/an/an/a37



Pfizer Inc.

US Patent


Assay Description
TRKA co-expressed with p75: The assays are based upon DiscoveRx's proprietary Enzyme Fragment Complementation (EFC) technology. In the case of the TR...


US Patent US9328096 (2016)


BindingDB Entry DOI: 10.7270/Q2FN152J
More data for this
Ligand-Target Pair