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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 = 'BDBM238252'   
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))
BDBM238252
PNG
(US9394250, 20 | US9585881, Example 20)
Show SMILES CS(=O)(=O)N1CCN(CC1)[C@H]1C[C@H](N(C1)C(=O)c1ccc(cc1)C(N)=N)C(=O)Nc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1/C25H30N6O6S/c1-38(36,37)30-12-10-29(11-13-30)20-14-21(23(32)28-19-8-6-18(7-9-19)25(34)35)31(15-20)24(33)17-4-2-16(3-5-17)22(26)27/h2-9,20-21H,10-15H2,1H3,(H3,26,27)(H,28,32)(H,34,35)/t20-,21-/s2
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DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.20n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9585881 (2017)


BindingDB Entry DOI: 10.7270/Q2D50Q0R
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238252
PNG
(US9394250, 20 | US9585881, Example 20)
Show SMILES CS(=O)(=O)N1CCN(CC1)[C@H]1C[C@H](N(C1)C(=O)c1ccc(cc1)C(N)=N)C(=O)Nc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1/C25H30N6O6S/c1-38(36,37)30-12-10-29(11-13-30)20-14-21(23(32)28-19-8-6-18(7-9-19)25(34)35)31(15-20)24(33)17-4-2-16(3-5-17)22(26)27/h2-9,20-21H,10-15H2,1H3,(H3,26,27)(H,28,32)(H,34,35)/t20-,21-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.20n/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 US9394250 (2016)


BindingDB Entry DOI: 10.7270/Q2222SP5
More data for this
Ligand-Target Pair