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Compile Data Set for Download or QSAR

Found 1 hit with Last Name = 'alajarín' and Initial = 'r'   
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
Tumor necrosis factor receptor R1


(Homo sapiens)
BDBM50373071
PNG
(CHEMBL255489)
Show SMILES CN(CCN(C)Cc1coc2cc(C)c(C)cc2c1=O)Cc1cn(-c2cccc(c2)C(F)(F)F)c2ccccc12
Show InChI InChI=1S/C32H32F3N3O2/c1-21-14-28-30(15-22(21)2)40-20-24(31(28)39)18-37(4)13-12-36(3)17-23-19-38(29-11-6-5-10-27(23)29)26-9-7-8-25(16-26)32(33,34)35/h5-11,14-16,19-20H,12-13,17-18H2,1-4H3
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MMDB

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CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Instituto de Salud Hospital Universitario La Paz - IdiPAZ

Curated by ChEMBL


Assay Description
Inhibition of TNFR1 (unknown origin)


Eur J Med Chem 93: 83-92 (2015)


Article DOI: 10.1016/j.ejmech.2015.01.060
BindingDB Entry DOI: 10.7270/Q2RR20ZB
More data for this
Ligand-Target Pair