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BDBM238259 US9394250, 71::US9585881, Example 71

SMILES: COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=HOTFNPNTKCEFJL-MGRUGCKGNA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 238259   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))
BDBM238259
PNG
(US9394250, 71 | US9585881, Example 71)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C28H39ClN8O5S/c1-42-28(39)32-21-5-3-18(4-6-21)23-24(29)34-25(33-23)22-15-20(17-9-13-36(14-10-17)43(2,40)41)16-37(22)26(38)19-7-11-35(12-8-19)27(30)31/h3-6,17,19-20,22H,7-16H2,1-2H3,(H3,30,31)(H,32,39)(H,33,34)/t20-,22-/s2
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n/an/a 2.20n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM238259
PNG
(US9394250, 71 | US9585881, Example 71)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C28H39ClN8O5S/c1-42-28(39)32-21-5-3-18(4-6-21)23-24(29)34-25(33-23)22-15-20(17-9-13-36(14-10-17)43(2,40)41)16-37(22)26(38)19-7-11-35(12-8-19)27(30)31/h3-6,17,19-20,22H,7-16H2,1-2H3,(H3,30,31)(H,32,39)(H,33,34)/t20-,22-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.40E+4n/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 Xa


(Homo sapiens (Human))
BDBM238259
PNG
(US9394250, 71 | US9585881, Example 71)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C28H39ClN8O5S/c1-42-28(39)32-21-5-3-18(4-6-21)23-24(29)34-25(33-23)22-15-20(17-9-13-36(14-10-17)43(2,40)41)16-37(22)26(38)19-7-11-35(12-8-19)27(30)31/h3-6,17,19-20,22H,7-16H2,1-2H3,(H3,30,31)(H,32,39)(H,33,34)/t20-,22-/s2
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n/an/a>1.00E+5n/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))
BDBM238259
PNG
(US9394250, 71 | US9585881, Example 71)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C28H39ClN8O5S/c1-42-28(39)32-21-5-3-18(4-6-21)23-24(29)34-25(33-23)22-15-20(17-9-13-36(14-10-17)43(2,40)41)16-37(22)26(38)19-7-11-35(12-8-19)27(30)31/h3-6,17,19-20,22H,7-16H2,1-2H3,(H3,30,31)(H,32,39)(H,33,34)/t20-,22-/s2
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n/an/a 2.20n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM238259
PNG
(US9394250, 71 | US9585881, Example 71)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C28H39ClN8O5S/c1-42-28(39)32-21-5-3-18(4-6-21)23-24(29)34-25(33-23)22-15-20(17-9-13-36(14-10-17)43(2,40)41)16-37(22)26(38)19-7-11-35(12-8-19)27(30)31/h3-6,17,19-20,22H,7-16H2,1-2H3,(H3,30,31)(H,32,39)(H,33,34)/t20-,22-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 9.40E+4n/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 X


(Homo sapiens (Human))
BDBM238259
PNG
(US9394250, 71 | US9585881, Example 71)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C28H39ClN8O5S/c1-42-28(39)32-21-5-3-18(4-6-21)23-24(29)34-25(33-23)22-15-20(17-9-13-36(14-10-17)43(2,40)41)16-37(22)26(38)19-7-11-35(12-8-19)27(30)31/h3-6,17,19-20,22H,7-16H2,1-2H3,(H3,30,31)(H,32,39)(H,33,34)/t20-,22-/s2
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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 US9394250 (2016)


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