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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM335415'   
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))
BDBM335415
PNG
(4-(2-{(6S)-2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CCc2nc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6000, 50 mM HEPES-NaOH (pH7.4) wit...


US Patent US10717738 (2020)


BindingDB Entry DOI: 10.7270/Q2X92FBQ
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335415
PNG
(4-(2-{(6S)-2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CCc2nc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor XIa (Haematologic Technologies Inc.) activity was measured at an enzyme concentration of 0.1 U/mL in 150 mM NaCl, 5 mM KCl, 1 mg/mL PEG6...


US Patent US9732085 (2017)


BindingDB Entry DOI: 10.7270/Q25X2C2P
More data for this
Ligand-Target Pair