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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor X' and Ligand = 'BDBM238266'   
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 X


(Homo sapiens (Human))
BDBM238266
PNG
(US10882855, Example 96 | US9394250, 96 | US9585881...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)[C@H]1CC[C@H](CN)CC1)C1CCN(CC1)S(C)(=O)=O |r,wU:19.35,17.18,27.30,wD:24.26,(10.54,.13,;9.2,.9,;7.87,.13,;7.87,-1.41,;6.54,.9,;5.2,.13,;5.2,-1.41,;3.87,-2.18,;2.54,-1.41,;2.54,.13,;3.87,.9,;1.2,-2.18,;-.04,-1.27,;-1.29,-2.18,;-.81,-3.64,;.73,-3.64,;1.5,-4.98,;-2.62,-1.41,;-3.1,.06,;-4.64,.06,;-5.12,-1.41,;-3.87,-2.31,;-3.87,-3.85,;-2.54,-4.62,;-5.2,-4.62,;-6.54,-3.85,;-7.87,-4.62,;-7.87,-6.16,;-9.2,-6.93,;-10.54,-6.16,;-6.54,-6.93,;-5.2,-6.16,;-5.41,1.39,;-4.64,2.72,;-5.41,4.06,;-6.95,4.06,;-7.72,2.72,;-6.95,1.39,;-7.72,5.39,;-9.26,5.39,;-7.72,6.93,;-6.39,6.16,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/...


US Patent US9394250 (2016)


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


(Homo sapiens (Human))
BDBM238266
PNG
(US10882855, Example 96 | US9394250, 96 | US9585881...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)[C@H]1CC[C@H](CN)CC1)C1CCN(CC1)S(C)(=O)=O |r,wU:19.35,17.18,27.30,wD:24.26,(10.54,.13,;9.2,.9,;7.87,.13,;7.87,-1.41,;6.54,.9,;5.2,.13,;5.2,-1.41,;3.87,-2.18,;2.54,-1.41,;2.54,.13,;3.87,.9,;1.2,-2.18,;-.04,-1.27,;-1.29,-2.18,;-.81,-3.64,;.73,-3.64,;1.5,-4.98,;-2.62,-1.41,;-3.1,.06,;-4.64,.06,;-5.12,-1.41,;-3.87,-2.31,;-3.87,-3.85,;-2.54,-4.62,;-5.2,-4.62,;-6.54,-3.85,;-7.87,-4.62,;-7.87,-6.16,;-9.2,-6.93,;-10.54,-6.16,;-6.54,-6.93,;-5.2,-6.16,;-5.41,1.39,;-4.64,2.72,;-5.41,4.06,;-6.95,4.06,;-7.72,2.72,;-6.95,1.39,;-7.72,5.39,;-9.26,5.39,;-7.72,6.93,;-6.39,6.16,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/...


US Patent US10882855 (2021)


BindingDB Entry DOI: 10.7270/Q2XG9V7Q
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM238266
PNG
(US10882855, Example 96 | US9394250, 96 | US9585881...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)[C@H]1CC[C@H](CN)CC1)C1CCN(CC1)S(C)(=O)=O |r,wU:19.35,17.18,27.30,wD:24.26,(10.54,.13,;9.2,.9,;7.87,.13,;7.87,-1.41,;6.54,.9,;5.2,.13,;5.2,-1.41,;3.87,-2.18,;2.54,-1.41,;2.54,.13,;3.87,.9,;1.2,-2.18,;-.04,-1.27,;-1.29,-2.18,;-.81,-3.64,;.73,-3.64,;1.5,-4.98,;-2.62,-1.41,;-3.1,.06,;-4.64,.06,;-5.12,-1.41,;-3.87,-2.31,;-3.87,-3.85,;-2.54,-4.62,;-5.2,-4.62,;-6.54,-3.85,;-7.87,-4.62,;-7.87,-6.16,;-9.2,-6.93,;-10.54,-6.16,;-6.54,-6.93,;-5.2,-6.16,;-5.41,1.39,;-4.64,2.72,;-5.41,4.06,;-6.95,4.06,;-7.72,2.72,;-6.95,1.39,;-7.72,5.39,;-9.26,5.39,;-7.72,6.93,;-6.39,6.16,)|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+5n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent


Assay Description
Human Factor Xa (American Diagnostica Inc.) and human thrombin (Sigma) activities were measured at the enzyme concentrations of 0.18 U/mL and 0.12 U/...


US Patent US9585881 (2017)


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