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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 = 'BDBM238265'   
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))
BDBM238265
PNG
(US9394250, 94 | US9585881, Example 94)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C31H33Cl2N9O5S/c1-47-31(44)35-24-7-3-20(4-8-24)28-29(33)37-30(36-28)26-16-22(19-11-13-40(14-12-19)48(2,45)46)17-41(26)27(43)10-5-21-15-23(32)6-9-25(21)42-18-34-38-39-42/h3-10,15,18-19,22,26H,11-14,16-17H2,1-2H3,(H,35,44)(H,36,37)/b10-5+/t22-,26-/s2
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PC cid
PC sid
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US Patent
n/an/a 5.40n/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))
BDBM238265
PNG
(US9394250, 94 | US9585881, Example 94)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C31H33Cl2N9O5S/c1-47-31(44)35-24-7-3-20(4-8-24)28-29(33)37-30(36-28)26-16-22(19-11-13-40(14-12-19)48(2,45)46)17-41(26)27(43)10-5-21-15-23(32)6-9-25(21)42-18-34-38-39-42/h3-10,15,18-19,22,26H,11-14,16-17H2,1-2H3,(H,35,44)(H,36,37)/b10-5+/t22-,26-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.40n/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