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Compile Data Set for Download or QSAR

Found 541 hits with Last Name = 'ichihara' and Initial = 'o'   
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))
BDBM335416
PNG
(5-(2-{(3S)-7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1ccc(s1)-c1[nH]c(nc1F)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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n/an/a 1.10n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335414
PNG
(4-(2-{(3S)-8-chloro-7-[5-chloro-2-(1H-tetrazol-1-y...)
Show SMILES OC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CCc2c(Cl)c(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238267
PNG
(US9394250, 99)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCC(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r,wU:19.36,17.18,(10.48,2.25,;9.14,3.02,;7.81,2.25,;7.81,.71,;6.48,3.02,;5.14,2.25,;5.14,.71,;3.81,-.06,;2.47,.71,;2.47,2.25,;3.81,3.02,;1.14,-.06,;-.32,.41,;-1.23,-.83,;-.32,-2.08,;1.14,-1.6,;2.47,-2.37,;-2.56,-.53,;-3.04,.93,;-4.58,.93,;-5.05,-.53,;-3.81,-1.44,;-3.81,-2.98,;-2.47,-3.75,;-5.14,-3.75,;-6.48,-2.98,;-7.81,-3.75,;-7.81,-5.29,;-6.48,-6.06,;-5.14,-5.29,;-9.14,-6.06,;-9.14,-7.6,;-10.48,-5.29,;-5.35,2.26,;-4.58,3.6,;-5.35,4.93,;-6.89,4.93,;-7.66,3.6,;-6.89,2.26,;-7.66,6.27,;-8.43,7.6,;-6.32,7.04,;-8.99,5.5,)|
Show InChI InChI=1/C28H39ClN8O5S/c1-42-28(39)32-20-9-7-17(8-10-20)23-24(29)34-26(33-23)22-15-21(35-11-13-36(14-12-35)43(2,40)41)16-37(22)27(38)19-5-3-18(4-6-19)25(30)31/h7-10,18-19,21-22H,3-6,11-16H2,1-2H3,(H3,30,31)(H,32,39)(H,33,34)/t18?,19?,21-,22-/s2
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM294112
PNG
(US9585881, Example 99 | methyl [4-(2-{(2S,4S)-1-[(...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r|
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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))
BDBM335412
PNG
(4-(2-{(3S)-7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335399
PNG
((3S)-3-[5-(6-amino-3-pyridinyl)-4-chloro-1H-imidaz...)
Show SMILES Nc1ccc(cn1)-c1[nH]c(nc1Cl)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335413
PNG
(5-(2-{(3S)-8-chloro-7-[5-chloro-2-(1H-tetrazol-1-y...)
Show SMILES OC(=O)c1ccc(s1)-c1cnc([nH]1)[C@@H]1CCc2c(Cl)c(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335418
PNG
(4-(2-{(3S)-7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1scc(c1F)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335419
PNG
(4-(5-{7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-5-ox...)
Show SMILES OC(=O)c1cc(cs1)-c1nc(F)c([nH]1)C1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335415
PNG
(4-(2-{(6S)-2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1cc(cs1)-c1cnc([nH]1)[C@@H]1CCc2nc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

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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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
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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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))
BDBM238268
PNG
(US9394250, 98 | US9585881, Example 98)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C27H39N9O5S/c1-41-27(38)31-20-5-3-18(4-6-20)22-16-30-24(32-22)23-15-21(33-11-13-35(14-12-33)42(2,39)40)17-36(23)25(37)19-7-9-34(10-8-19)26(28)29/h3-6,16,19,21,23H,7-15,17H2,1-2H3,(H3,28,29)(H,30,32)(H,31,38)/t21-,23-/s2
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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))
BDBM238268
PNG
(US9394250, 98 | US9585881, Example 98)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)N1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C27H39N9O5S/c1-41-27(38)31-20-5-3-18(4-6-20)22-16-30-24(32-22)23-15-21(33-11-13-35(14-12-33)42(2,39)40)17-36(23)25(37)19-7-9-34(10-8-19)26(28)29/h3-6,16,19,21,23H,7-15,17H2,1-2H3,(H3,28,29)(H,30,32)(H,31,38)/t21-,23-/s2
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM335393
PNG
(US9732085, 57 | methyl{4-[5-chloro-2-({4-[5-chloro...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(Cn2ccc(cc2=O)-c2cc(Cl)ccc2-n2cnnn2)nc1Cl
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335393
PNG
(US9732085, 57 | methyl{4-[5-chloro-2-({4-[5-chloro...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(Cn2ccc(cc2=O)-c2cc(Cl)ccc2-n2cnnn2)nc1Cl
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335408
PNG
(US9732085, 290 | methyl[4-(2-{(3S)-7-[5-chloro-2-(...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cc(nn1)C#N
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335400
PNG
((3S)-3-[5-(6-amino-2-chloro-3-pyridinyl)-1H-imidaz...)
Show SMILES Nc1ccc(-c2cnc([nH]2)[C@@H]2CCc3cc(cc(=O)n23)-c2cc(Cl)ccc2-n2cnnn2)c(Cl)n1 |r|
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n/an/a 2.80n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (Human))
BDBM50420474
PNG
(CHEMBL2086889 | US9073941, 607)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C15H15N5O3/c1-4-20-13-11(14(21)19(2)15(22)17-13)16-12(18-20)9-5-7-10(23-3)8-6-9/h5-8H,4H2,1-3H3
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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of caspase3


J Med Chem 55: 1021-46 (2012)


Article DOI: 10.1021/jm201310y
BindingDB Entry DOI: 10.7270/Q2CN7560
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
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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
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM335420
PNG
(US9732085, Comp Ex 1)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@H](Cc1ccccc1)NC(=O)CCc1cc(Cl)ccc1-n1cnnn1 |r|
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor XI


(Homo sapiens (Human))
BDBM335401
PNG
((3S)-3-[5-(6-amino-2-fluoro-3-pyridinyl)-1H-imidaz...)
Show SMILES Nc1ccc(-c2cnc([nH]2)[C@@H]2CCc3cc(cc(=O)n23)-c2cc(Cl)ccc2-n2cnnn2)c(F)n1 |r|
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n/an/a 3.80n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335396
PNG
(6-(2-{7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]-5-ox...)
Show SMILES Clc1ccc(c(c1)-c1cc2CCC(c3nc(c[nH]3)-c3ccc4NC(=O)CCc4c3)n2c(=O)c1)-n1cnnn1
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n/an/a 3.90n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238266
PNG
(US9394250, 96 | US9585881, Example 96)
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,)|
Show InChI InChI=1/C29H41ClN6O5S/c1-41-29(38)32-23-9-7-20(8-10-23)25-26(30)34-27(33-25)24-15-22(19-11-13-35(14-12-19)42(2,39)40)17-36(24)28(37)21-5-3-18(16-31)4-6-21/h7-10,18-19,21-22,24H,3-6,11-17,31H2,1-2H3,(H,32,38)(H,33,34)/t18-,21-,22-,24-/s2
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM335411
PNG
(5-(2-{(3S)-7-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]...)
Show SMILES OC(=O)c1ccc(s1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1 |r|
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n/an/a 4.20n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238266
PNG
(US9394250, 96 | US9585881, Example 96)
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,)|
Show InChI InChI=1/C29H41ClN6O5S/c1-41-29(38)32-23-9-7-20(8-10-23)25-26(30)34-27(33-25)24-15-22(19-11-13-35(14-12-19)42(2,39)40)17-36(24)28(37)21-5-3-18(16-31)4-6-21/h7-10,18-19,21-22,24H,3-6,11-17,31H2,1-2H3,(H,32,38)(H,33,34)/t18-,21-,22-,24-/s2
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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))
BDBM238260
PNG
(US9394250, 73 | US9585881, Example 73)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)c1ccc(cc1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C29H35N7O5S/c1-41-29(38)33-23-9-7-19(8-10-23)24-16-32-27(34-24)25-15-22(18-11-13-35(14-12-18)42(2,39)40)17-36(25)28(37)21-5-3-20(4-6-21)26(30)31/h3-10,16,18,22,25H,11-15,17H2,1-2H3,(H3,30,31)(H,32,34)(H,33,38)/t22-,25-/s2
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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))
BDBM238260
PNG
(US9394250, 73 | US9585881, Example 73)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)c1ccc(cc1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C29H35N7O5S/c1-41-29(38)33-23-9-7-19(8-10-23)24-16-32-27(34-24)25-15-22(18-11-13-35(14-12-18)42(2,39)40)17-36(25)28(37)21-5-3-20(4-6-21)26(30)31/h3-10,16,18,22,25H,11-15,17H2,1-2H3,(H3,30,31)(H,32,34)(H,33,38)/t22-,25-/s2
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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM335397
PNG
(US9732085, 129(2) | isopropyl[4-(2-{7-[5-chloro-2-...)
Show SMILES CC(C)OC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1
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n/an/a 4.60n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335403
PNG
(US9732085, 241 | methyl[4-(4-chloro-5-{7-[5-chloro...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1nc(Cl)c([nH]1)C1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1
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n/an/a 4.80n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335410
PNG
(US9732085, 310 | methyl[4-(2-{(3S)-7-[5-chloro-2-(...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(Cl)ccc1-n1cc(Cl)nn1
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n/an/a 4.90n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

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
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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))
BDBM238263
PNG
(US9394250, 88 | US9585881, Example 88)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)N1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C27H38ClN9O5S/c1-42-26(38)31-20-5-3-18(4-6-20)22-23(28)33-24(32-22)21-15-19(17-7-9-36(10-8-17)43(2,40)41)16-37(21)27(39)35-13-11-34(12-14-35)25(29)30/h3-6,17,19,21H,7-16H2,1-2H3,(H3,29,30)(H,31,38)(H,32,33)/t19-,21-/s2
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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
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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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
Coagulation factor XI


(Homo sapiens (Human))
BDBM238263
PNG
(US9394250, 88 | US9585881, Example 88)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)N1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C27H38ClN9O5S/c1-42-26(38)31-20-5-3-18(4-6-20)22-23(28)33-24(32-22)21-15-19(17-7-9-36(10-8-17)43(2,40)41)16-37(21)27(39)35-13-11-34(12-14-35)25(29)30/h3-6,17,19,21H,7-16H2,1-2H3,(H3,29,30)(H,31,38)(H,32,33)/t19-,21-/s2
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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))
BDBM335407
PNG
(US9732085, 278 | methyl(4-{2-[1-{4-[5-chloro-2-(1H...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C(Cc1cccnc1)n1ccc(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
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n/an/a 5.70n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335405
PNG
(US9732085, 264 | methyl{4-[4-chloro-2-(1-{4-[5-chl...)
Show SMILES COCCC(c1nc(Cl)c([nH]1)-c1ccc(NC(=O)OC)cc1)n1ccc(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
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n/an/a 6.10n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335391
PNG
(US9732085, 41 | methyl[4-(2-{2-[5-chloro-2-(1H-tet...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C1CCc2nc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM335391
PNG
(US9732085, 41 | methyl[4-(2-{2-[5-chloro-2-(1H-tet...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C1CCc2nc(cc(=O)n12)-c1cc(Cl)ccc1-n1cnnn1
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ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

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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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


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
Coagulation factor XI


(Homo sapiens (Human))
BDBM335394
PNG
(US9732085, 60 | methyl{4-[5-chloro-2-(1-{4-[5-chlo...)
Show SMILES CCC(c1nc(c(Cl)[nH]1)-c1ccc(NC(=O)OC)cc1)n1ccc(cc1=O)-c1cc(Cl)ccc1-n1cnnn1
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n/an/a 7.20n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM238258
PNG
(US9394250, 69 | US9585881, Example 69)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C28H40N8O5S/c1-41-28(38)32-22-5-3-19(4-6-22)23-16-31-25(33-23)24-15-21(18-9-13-35(14-10-18)42(2,39)40)17-36(24)26(37)20-7-11-34(12-8-20)27(29)30/h3-6,16,18,20-21,24H,7-15,17H2,1-2H3,(H3,29,30)(H,31,33)(H,32,38)/t21-,24-/s2
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n/an/a 7.40n/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
Coagulation factor XI


(Homo sapiens (Human))
BDBM238258
PNG
(US9394250, 69 | US9585881, Example 69)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1C[C@@H](CN1C(=O)C1CCN(CC1)C(N)=N)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1/C28H40N8O5S/c1-41-28(38)32-22-5-3-19(4-6-22)23-16-31-25(33-23)24-15-21(18-9-13-35(14-10-18)42(2,39)40)17-36(24)26(37)20-7-11-34(12-8-20)27(29)30/h3-6,16,18,20-21,24H,7-15,17H2,1-2H3,(H3,29,30)(H,31,33)(H,32,38)/t21-,24-/s2
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n/an/a 7.40n/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))
BDBM335409
PNG
(US9732085, 309 | methyl[4-(2-{(3S)-7-[5-methyl-2-(...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCc2cc(cc(=O)n12)-c1cc(C)ccc1-n1cnnn1
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n/an/a 8.30n/an/an/an/an/an/a



ONO PHARMACEUTICAL CO., LTD.

US Patent




US Patent US9732085 (2017)

More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (Human))
BDBM294113
PNG
(4-[({(2S,4R)-1-(4-carbamimidoylbenzoyl)-4-[1-(meth...)
Show SMILES CS(=O)(=O)N1CCC(CC1)[C@H]1C[C@H](N(C1)C(=O)c1ccc(cc1)C(N)=N)C(=O)Nc1ccc(cc1)C(O)=O |r|
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n/an/a 8.5n/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))
BDBM238269
PNG
(US9394250, 111)
Show SMILES CS(=O)(=O)N1CCC(CC1)[C@H]1C[C@H](N(C1)C(=O)c1ccc(cc1)C(N)=N)C(=O)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C26H31N5O6S/c1-38(36,37)30-12-10-16(11-13-30)20-14-22(24(32)29-21-8-6-19(7-9-21)26(34)35)31(15-20)25(33)18-4-2-17(3-5-18)23(27)28/h2-9,16,20,22H,10-15H2,1H3,(H3,27,28)(H,29,32)(H,34,35)/t20-,22-/m0/s1
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n/an/a 8.5n/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
Coagulation factor XI


(Homo sapiens (Human))
BDBM294104
PNG
(US9585881, Example 86 | methyl [4-(2-{(2S,4R)-1-({...)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)[C@H]1CC[C@@H](CC1)[C@H](C)N)C1CCN(CC1)S(C)(=O)=O |r,wU:17.18,19.36,27.33,wD:24.26,30.35,(10.68,-1.49,;9.59,-.4,;8.1,-.8,;7.7,-2.29,;7.01,.29,;5.52,-.11,;5.13,-1.6,;3.64,-1.99,;2.55,-.91,;2.95,.58,;4.44,.98,;1.06,-1.3,;-.18,-.4,;-1.43,-1.3,;-.95,-2.77,;.59,-2.77,;1.36,-4.1,;-2.76,-.53,;-3.24,.93,;-4.78,.93,;-5.26,-.53,;-4.01,-1.44,;-4.01,-2.98,;-2.68,-3.75,;-5.34,-3.75,;-6.68,-2.98,;-8.01,-3.75,;-8.01,-5.29,;-6.68,-6.06,;-5.34,-5.29,;-9.34,-6.06,;-9.34,-7.6,;-10.68,-5.29,;-5.55,2.26,;-4.78,3.6,;-5.55,4.93,;-7.09,4.93,;-7.86,3.6,;-7.09,2.26,;-7.86,6.27,;-8.63,7.6,;-9.19,5.5,;-6.53,7.04,)|
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n/an/a 9.90n/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))
BDBM238262
PNG
(US9394250, 86)
Show SMILES COC(=O)Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@@H]1C[C@@H](CN1C(=O)[C@H]1CCC(CC1)[C@H](C)N)C1CCN(CC1)S(C)(=O)=O |r,wU:19.36,17.18,wD:24.26,30.35,30.34,(10.68,-1.49,;9.59,-.4,;8.1,-.8,;7.7,-2.29,;7.01,.29,;5.52,-.11,;5.13,-1.6,;3.64,-1.99,;2.55,-.91,;2.95,.58,;4.44,.98,;1.06,-1.3,;-.18,-.4,;-1.43,-1.3,;-.95,-2.77,;.59,-2.77,;1.36,-4.1,;-2.76,-.53,;-3.24,.93,;-4.78,.93,;-5.26,-.53,;-4.01,-1.44,;-4.01,-2.98,;-2.68,-3.75,;-5.34,-3.75,;-6.68,-2.98,;-8.01,-3.75,;-8.01,-5.29,;-6.68,-6.06,;-5.34,-5.29,;-9.34,-6.06,;-9.34,-7.6,;-10.68,-5.29,;-5.55,2.26,;-4.78,3.6,;-5.55,4.93,;-7.09,4.93,;-7.86,3.6,;-7.09,2.26,;-7.86,6.27,;-8.63,7.6,;-6.53,7.04,;-9.19,5.5,)|
Show InChI InChI=1/C30H43ClN6O5S/c1-18(32)19-4-6-22(7-5-19)29(38)37-17-23(20-12-14-36(15-13-20)43(3,40)41)16-25(37)28-34-26(27(31)35-28)21-8-10-24(11-9-21)33-30(39)42-2/h8-11,18-20,22-23,25H,4-7,12-17,32H2,1-3H3,(H,33,39)(H,34,35)/t18-,19?,22-,23-,25-/s2
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n/an/a 9.90n/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
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