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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'High affinity nerve growth factor receptor' and Ligand = 'BDBM50335201'   
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
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50335201
PNG
(5-Chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]...)
Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)n[nH]2)n1)c1ncc(F)cn1 |r|
Show InChI InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1
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PC cid
PC sid
PDB
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Inhibition of TrkA


J Med Chem 54: 262-76 (2011)


Article DOI: 10.1021/jm1011319
BindingDB Entry DOI: 10.7270/Q2M32WRM
More data for this
Ligand-Target Pair