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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 285916   
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
Coagulation factor XI


(Homo sapiens (Human))
BDBM285916
PNG
(7-[5-(4- chlorophenyl)-1,3,4- oxadiazol-2-yl]-3-[5...)
Show SMILES OC1(CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1)c1nnc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl2N7O3/c24-16-3-1-13(2-4-16)21-27-28-22(35-21)23(33)8-7-14-9-15(11-32(34)20(14)23)18-10-17(25)5-6-19(18)31-12-26-29-30-31/h1-6,9-12,33H,7-8H2
PDB
MMDB

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PC sid
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US Patent
n/an/a 343n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...


US Patent US10081617 (2018)


BindingDB Entry DOI: 10.7270/Q2CR5WDN
More data for this
Ligand-Target Pair