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BDBM238261 US9394250, 79::US9585881, Example 79

SMILES: COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)c1ccc(NC(N)=N)cc1)C1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=PBWZMODYFICYEG-CSHCTHBINA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 238261   
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))
BDBM238261
PNG
(US9394250, 79 | US9585881, Example 79)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)c1ccc(NC(N)=N)cc1)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C29H35ClN8O5S/c1-43-29(40)34-22-7-3-18(4-8-22)24-25(30)36-26(35-24)23-15-20(17-11-13-37(14-12-17)44(2,41)42)16-38(23)27(39)19-5-9-21(10-6-19)33-28(31)32/h3-10,17,20,23H,11-16H2,1-2H3,(H,34,40)(H,35,36)(H4,31,32,33)/t20-,23-/s2
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n/an/a 6.5n/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))
BDBM238261
PNG
(US9394250, 79 | US9585881, Example 79)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)c1ccc(NC(N)=N)cc1)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C29H35ClN8O5S/c1-43-29(40)34-22-7-3-18(4-8-22)24-25(30)36-26(35-24)23-15-20(17-11-13-37(14-12-17)44(2,41)42)16-38(23)27(39)19-5-9-21(10-6-19)33-28(31)32/h3-10,17,20,23H,11-16H2,1-2H3,(H,34,40)(H,35,36)(H4,31,32,33)/t20-,23-/s2
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.00E+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))
BDBM238261
PNG
(US9394250, 79 | US9585881, Example 79)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)c1ccc(NC(N)=N)cc1)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C29H35ClN8O5S/c1-43-29(40)34-22-7-3-18(4-8-22)24-25(30)36-26(35-24)23-15-20(17-11-13-37(14-12-17)44(2,41)42)16-38(23)27(39)19-5-9-21(10-6-19)33-28(31)32/h3-10,17,20,23H,11-16H2,1-2H3,(H,34,40)(H,35,36)(H4,31,32,33)/t20-,23-/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))
BDBM238261
PNG
(US9394250, 79 | US9585881, Example 79)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)c1ccc(NC(N)=N)cc1)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C29H35ClN8O5S/c1-43-29(40)34-22-7-3-18(4-8-22)24-25(30)36-26(35-24)23-15-20(17-11-13-37(14-12-17)44(2,41)42)16-38(23)27(39)19-5-9-21(10-6-19)33-28(31)32/h3-10,17,20,23H,11-16H2,1-2H3,(H,34,40)(H,35,36)(H4,31,32,33)/t20-,23-/s2
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n/an/a 6.5n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM238261
PNG
(US9394250, 79 | US9585881, Example 79)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)c1ccc(NC(N)=N)cc1)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C29H35ClN8O5S/c1-43-29(40)34-22-7-3-18(4-8-22)24-25(30)36-26(35-24)23-15-20(17-11-13-37(14-12-17)44(2,41)42)16-38(23)27(39)19-5-9-21(10-6-19)33-28(31)32/h3-10,17,20,23H,11-16H2,1-2H3,(H,34,40)(H,35,36)(H4,31,32,33)/t20-,23-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.00E+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))
BDBM238261
PNG
(US9394250, 79 | US9585881, Example 79)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)c1ccc(NC(N)=N)cc1)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C29H35ClN8O5S/c1-43-29(40)34-22-7-3-18(4-8-22)24-25(30)36-26(35-24)23-15-20(17-11-13-37(14-12-17)44(2,41)42)16-38(23)27(39)19-5-9-21(10-6-19)33-28(31)32/h3-10,17,20,23H,11-16H2,1-2H3,(H,34,40)(H,35,36)(H4,31,32,33)/t20-,23-/s2
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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