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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'al-horani' and Initial = 'ra'   
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/antithrombin III


(Homo sapiens (human))
BDBM50386271
PNG
(CHEMBL2040983)
Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50425968
PNG
(CHEMBL2314388)
Show SMILES Oc1c(OS([O-])(=O)=O)cc(cc1OS([O-])(=O)=O)C(=O)OC[C@H]1O[C@@H](OC(=O)c2cc(OS([O-])(=O)=O)c(O)c(OS([O-])(=O)=O)c2)[C@H](OC(=O)c2cc(OS([O-])(=O)=O)c(O)c(OS([O-])(=O)=O)c2)[C@@H](OC(=O)c2cc(OS([O-])(=O)=O)c(O)c(OS([O-])(=O)=O)c2)[C@@H]1OC(=O)c1cc(OS([O-])(=O)=O)c(O)c(OS([O-])(=O)=O)c1
Show InChI InChI=1S/C41H32O56S10/c42-28-17(88-98(52,53)54)1-12(2-18(28)89-99(55,56)57)36(47)82-11-27-33(84-37(48)13-3-19(90-100(58,59)60)29(43)20(4-13)91-101(61,62)63)34(85-38(49)14-5-21(92-102(64,65)66)30(44)22(6-14)93-103(67,68)69)35(86-39(50)15-7-23(94-104(70,71)72)31(45)24(8-15)95-105(73,74)75)41(83-27)87-40(51)16-9-25(96-106(76,77)78)32(46)26(10-16)97-107(79,80)81/h1-10,27,33-35,41-46H,11H2,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)/p-10/t27-,33-,34+,35-,41+/m1/s1
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n/an/a 551n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human FXIa assessed as S-2366 hydrolysis after 10 mins by microplate reader analysis


J Med Chem 56: 867-78 (2013)


Article DOI: 10.1021/jm301338q
BindingDB Entry DOI: 10.7270/Q25D8T42
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386267
PNG
(CHEMBL2040979)
Show SMILES CN(C(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H30ClN3O3/c1-32(25-13-15-26(16-14-25)33-17-5-4-8-28(33)35)30(37)27-19-22-6-2-3-7-23(22)20-34(27)29(36)18-21-9-11-24(31)12-10-21/h2-3,6-7,9-16,27H,4-5,8,17-20H2,1H3/t27-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386261
PNG
(CHEMBL2040973)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C29H28ClN3O4/c1-31(24-10-12-25(13-11-24)32-14-15-37-19-28(32)35)29(36)26-17-21-4-2-3-5-22(21)18-33(26)27(34)16-20-6-8-23(30)9-7-20/h2-13,26H,14-19H2,1H3/t26-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386259
PNG
(CHEMBL2040970)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1Cl)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H29Cl2N3O3/c1-33(24-11-13-25(14-12-24)34-15-5-4-8-28(34)36)30(38)27-16-20-6-2-3-7-22(20)19-35(27)29(37)17-21-9-10-23(31)18-26(21)32/h2-3,6-7,9-14,18,27H,4-5,8,15-17,19H2,1H3/t27-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386253
PNG
(CHEMBL2040963)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H30ClN3O3/c1-32(25-13-15-26(16-14-25)33-17-5-4-8-28(33)35)30(37)27-19-22-6-2-3-7-23(22)20-34(27)29(36)18-21-9-11-24(31)12-10-21/h2-3,6-7,9-16,27H,4-5,8,17-20H2,1H3/t27-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386270
PNG
(CHEMBL2040982)
Show SMILES CCN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C30H30ClN3O4/c1-2-32(25-11-13-26(14-12-25)33-15-16-38-20-29(33)36)30(37)27-18-22-5-3-4-6-23(22)19-34(27)28(35)17-21-7-9-24(31)10-8-21/h3-14,27H,2,15-20H2,1H3/t27-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386266
PNG
(CHEMBL2040978)
Show SMILES ClCc1ccc(cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C28H26ClN3O4/c29-16-19-5-7-20(8-6-19)28(35)32-17-22-4-2-1-3-21(22)15-25(32)27(34)30-23-9-11-24(12-10-23)31-13-14-36-18-26(31)33/h1-12,25H,13-18H2,(H,30,34)/t25-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386262
PNG
(CHEMBL2040974)
Show SMILES Cc1c(sc2ccc(Cl)cc12)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C30H26ClN3O4S/c1-18-24-15-21(31)6-11-26(24)39-28(18)30(37)34-16-20-5-3-2-4-19(20)14-25(34)29(36)32-22-7-9-23(10-8-22)33-12-13-38-17-27(33)35/h2-11,15,25H,12-14,16-17H2,1H3,(H,32,36)/t25-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386243
PNG
(CHEMBL2040952)
Show SMILES O=C(Nc1ccc(cc1)N1CCOCC1=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C28H27N3O5/c32-26-19-35-15-14-30(26)24-12-10-23(11-13-24)29-27(33)25-16-21-8-4-5-9-22(21)17-31(25)28(34)36-18-20-6-2-1-3-7-20/h1-13,25H,14-19H2,(H,29,33)/t25-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386272
PNG
(CHEMBL2040984)
Show SMILES COc1cc2C[C@H](N(Cc2cc1OC)C(=O)Cc1ccc(Cl)cc1)C(=O)N(C)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C32H34ClN3O5/c1-34(25-11-13-26(14-12-25)35-15-5-4-6-30(35)37)32(39)27-17-22-18-28(40-2)29(41-3)19-23(22)20-36(27)31(38)16-21-7-9-24(33)10-8-21/h7-14,18-19,27H,4-6,15-17,20H2,1-3H3/t27-/m0/s1
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n/an/a 7.80E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386278
PNG
(CHEMBL2041074)
Show SMILES Clc1ccc(CC(=O)N2CC=CC[C@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C24H24ClN3O4/c25-18-6-4-17(5-7-18)15-22(29)28-12-2-1-3-21(28)24(31)26-19-8-10-20(11-9-19)27-13-14-32-16-23(27)30/h1-2,4-11,21H,3,12-16H2,(H,26,31)/t21-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386238
PNG
(CHEMBL2040946)
Show SMILES O=C(Nc1ccc(cc1)N1CCCCC1=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H29N3O4/c33-27-12-6-7-17-31(27)25-15-13-24(14-16-25)30-28(34)26-18-22-10-4-5-11-23(22)19-32(26)29(35)36-20-21-8-2-1-3-9-21/h1-5,8-11,13-16,26H,6-7,12,17-20H2,(H,30,34)/t26-/m0/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386279
PNG
(CHEMBL2041075)
Show SMILES Clc1ccc(CC(=O)N2[C@@H]3CC[C@H](C3)[C@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C25H26ClN3O4/c26-18-4-1-16(2-5-18)13-22(30)29-21-8-3-17(14-21)24(29)25(32)27-19-6-9-20(10-7-19)28-11-12-33-15-23(28)31/h1-2,4-7,9-10,17,21,24H,3,8,11-15H2,(H,27,32)/t17-,21-,24+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386241
PNG
(CHEMBL2040950)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C29H29N3O5/c1-30(24-11-13-25(14-12-24)31-15-16-36-20-27(31)33)28(34)26-17-22-9-5-6-10-23(22)18-32(26)29(35)37-19-21-7-3-2-4-8-21/h2-14,26H,15-20H2,1H3/t26-/m0/s1
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n/an/a 1.28E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386269
PNG
(CHEMBL2040981)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C29H26F3N3O3/c30-29(31,32)22-10-8-19(9-11-22)28(38)35-18-21-6-2-1-5-20(21)17-25(35)27(37)33-23-12-14-24(15-13-23)34-16-4-3-7-26(34)36/h1-2,5-6,8-15,25H,3-4,7,16-18H2,(H,33,37)/t25-/m0/s1
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n/an/a 1.33E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386254
PNG
(CHEMBL2040964)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(C)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C31H33N3O3/c1-22-10-12-23(13-11-22)19-30(36)34-21-25-8-4-3-7-24(25)20-28(34)31(37)32(2)26-14-16-27(17-15-26)33-18-6-5-9-29(33)35/h3-4,7-8,10-17,28H,5-6,9,18-21H2,1-2H3/t28-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386239
PNG
(CHEMBL2040947)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H31N3O4/c1-31(25-14-16-26(17-15-25)32-18-8-7-13-28(32)34)29(35)27-19-23-11-5-6-12-24(23)20-33(27)30(36)37-21-22-9-3-2-4-10-22/h2-6,9-12,14-17,27H,7-8,13,18-21H2,1H3/t27-/m0/s1
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n/an/a 1.64E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386258
PNG
(CHEMBL2040969)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H29Cl2N3O3/c1-33(23-10-12-24(13-11-23)34-15-5-4-8-28(34)36)30(38)27-18-21-6-2-3-7-22(21)19-35(27)29(37)17-20-9-14-25(31)26(32)16-20/h2-3,6-7,9-14,16,27H,4-5,8,15,17-19H2,1H3/t27-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386252
PNG
(CHEMBL2040962)
Show SMILES COc1ccc(cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H31N3O4/c1-31(24-12-14-25(15-13-24)32-18-6-5-9-28(32)34)30(36)27-19-22-7-3-4-8-23(22)20-33(27)29(35)21-10-16-26(37-2)17-11-21/h3-4,7-8,10-17,27H,5-6,9,18-20H2,1-2H3/t27-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386242
PNG
(CHEMBL2040951)
Show SMILES CCN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C30H31N3O5/c1-2-31(25-12-14-26(15-13-25)32-16-17-37-21-28(32)34)29(35)27-18-23-10-6-7-11-24(23)19-33(27)30(36)38-20-22-8-4-3-5-9-22/h3-15,27H,2,16-21H2,1H3/t27-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386240
PNG
(CHEMBL2040949)
Show SMILES CC(C)N(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C32H35N3O4/c1-23(2)35(28-17-15-27(16-18-28)33-19-9-8-14-30(33)36)31(37)29-20-25-12-6-7-13-26(25)21-34(29)32(38)39-22-24-10-4-3-5-11-24/h3-7,10-13,15-18,23,29H,8-9,14,19-22H2,1-2H3/t29-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386235
PNG
(CHEMBL2040948)
Show SMILES CCN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C31H33N3O4/c1-2-32(26-15-17-27(18-16-26)33-19-9-8-14-29(33)35)30(36)28-20-24-12-6-7-13-25(24)21-34(28)31(37)38-22-23-10-4-3-5-11-23/h3-7,10-13,15-18,28H,2,8-9,14,19-22H2,1H3/t28-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386277
PNG
(CHEMBL2040990)
Show SMILES Clc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C24H26ClN3O4/c25-18-6-4-17(5-7-18)15-22(29)28-12-2-1-3-21(28)24(31)26-19-8-10-20(11-9-19)27-13-14-32-16-23(27)30/h4-11,21H,1-3,12-16H2,(H,26,31)/t21-/m1/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386255
PNG
(CHEMBL2040965)
Show SMILES COc1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c2ccc(cc2)N2CCCCC2=O)cc1
Show InChI InChI=1S/C31H33N3O4/c1-32(25-12-14-26(15-13-25)33-18-6-5-9-29(33)35)31(37)28-20-23-7-3-4-8-24(23)21-34(28)30(36)19-22-10-16-27(38-2)17-11-22/h3-4,7-8,10-17,28H,5-6,9,18-21H2,1-2H3/t28-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386260
PNG
(CHEMBL2040972)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)s1)c1ccc(cc1)N1CCOCC1=O
Show InChI InChI=1S/C26H24ClN3O4S/c1-28(19-6-8-20(9-7-19)29-12-13-34-16-24(29)31)25(32)21-14-17-4-2-3-5-18(17)15-30(21)26(33)22-10-11-23(27)35-22/h2-11,21H,12-16H2,1H3/t21-/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386248
PNG
(CHEMBL2040958)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cccs1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C27H27N3O3S/c1-28(21-11-13-22(14-12-21)29-15-5-4-10-25(29)31)26(32)23-17-19-7-2-3-8-20(19)18-30(23)27(33)24-9-6-16-34-24/h2-3,6-9,11-14,16,23H,4-5,10,15,17-18H2,1H3/t23-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427852
PNG
(CHEMBL2326346)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2ccc(OS(O)(=O)=O)cc2)nn1
Show InChI InChI=1S/C37H33N7O10S2/c45-36-30-9-3-5-11-32(30)38-34(25-13-17-28(18-14-25)53-55(47,48)49)43(36)22-8-2-1-7-21-42-23-27(40-41-42)24-44-35(39-33-12-6-4-10-31(33)37(44)46)26-15-19-29(20-16-26)54-56(50,51)52/h3-6,9-20,23H,1-2,7-8,21-22,24H2,(H,47,48,49)(H,50,51,52)
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n/an/a 5.20E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386273
PNG
(CHEMBL2040985)
Show SMILES CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C29H30ClN3O3/c1-32(24-14-16-25(17-15-24)33-18-6-5-9-28(33)35)29(36)26(19-21-7-3-2-4-8-21)31-27(34)20-22-10-12-23(30)13-11-22/h2-4,7-8,10-17,26H,5-6,9,18-20H2,1H3,(H,31,34)/t26-/m0/s1
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n/an/a 5.40E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386249
PNG
(CHEMBL2040959)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)s1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C27H26ClN3O3S/c1-29(20-9-11-21(12-10-20)30-15-5-4-8-25(30)32)26(33)22-16-18-6-2-3-7-19(18)17-31(22)27(34)23-13-14-24(28)35-23/h2-3,6-7,9-14,22H,4-5,8,15-17H2,1H3/t22-/m0/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427853
PNG
(CHEMBL2326345)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2ccc(OS(O)(=O)=O)cc2)nn1
Show InChI InChI=1S/C36H31N7O10S2/c44-35-29-8-2-4-10-31(29)37-33(24-12-16-27(17-13-24)52-54(46,47)48)42(35)21-7-1-6-20-41-22-26(39-40-41)23-43-34(38-32-11-5-3-9-30(32)36(43)45)25-14-18-28(19-15-25)53-55(49,50)51/h2-5,8-19,22H,1,6-7,20-21,23H2,(H,46,47,48)(H,49,50,51)
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n/an/a 5.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386276
PNG
(CHEMBL2040989)
Show SMILES CN(C(=O)[C@@H]1CCCN(C1)C(=O)c1ccc(Cl)s1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C23H26ClN3O3S/c1-25(17-7-9-18(10-8-17)27-14-3-2-6-21(27)28)22(29)16-5-4-13-26(15-16)23(30)19-11-12-20(24)31-19/h7-12,16H,2-6,13-15H2,1H3/t16-/m1/s1
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n/an/a 6.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Alpha-chymotrypsin


(Bos taurus (bovine))
BDBM50386271
PNG
(CHEMBL2040983)
Show SMILES Clc1ccc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C28H26ClN3O4/c29-22-7-5-19(6-8-22)15-26(33)32-17-21-4-2-1-3-20(21)16-25(32)28(35)30-23-9-11-24(12-10-23)31-13-14-36-18-27(31)34/h1-12,25H,13-18H2,(H,30,35)/t25-/m1/s1
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n/an/a 7.53E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of bovine alpha-chymotrypsin using chromogenic spectrozyme CTY as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427855
PNG
(CHEMBL2326343)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2ccc(OS(O)(=O)=O)cc2)nn1
Show InChI InChI=1S/C35H29N7O10S2/c43-34-28-7-1-3-9-30(28)36-32(23-11-15-26(16-12-23)51-53(45,46)47)41(34)20-6-5-19-40-21-25(38-39-40)22-42-33(37-31-10-4-2-8-29(31)35(42)44)24-13-17-27(18-14-24)52-54(48,49)50/h1-4,7-18,21H,5-6,19-20,22H2,(H,45,46,47)(H,48,49,50)
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n/an/a 8.20E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386256
PNG
(CHEMBL2040966)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H30N4O5/c1-31(24-13-15-25(16-14-24)32-17-5-4-8-28(32)35)30(37)27-19-22-6-2-3-7-23(22)20-33(27)29(36)18-21-9-11-26(12-10-21)34(38)39/h2-3,6-7,9-16,27H,4-5,8,17-20H2,1H3/t27-/m0/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427843
PNG
(CHEMBL2326355)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCCn1nncc1Cn1c(nc2ccccc2c1=O)-c1ccc(OS(O)(=O)=O)cc1
Show InChI InChI=1S/C36H31N7O10S2/c44-35-29-8-2-4-10-31(29)38-33(24-12-16-27(17-13-24)52-54(46,47)48)41(35)20-6-1-7-21-43-26(22-37-40-43)23-42-34(39-32-11-5-3-9-30(32)36(42)45)25-14-18-28(19-15-25)53-55(49,50)51/h2-5,8-19,22H,1,6-7,20-21,23H2,(H,46,47,48)(H,49,50,51)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427854
PNG
(CHEMBL2326344)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1Cc1cn(CCCCn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C35H29N7O10S2/c43-34-28-10-1-3-12-30(28)37-33(24-8-7-9-27(20-24)52-54(48,49)50)41(34)19-6-5-18-40-21-25(38-39-40)22-42-32(36-31-13-4-2-11-29(31)35(42)44)23-14-16-26(17-15-23)51-53(45,46)47/h1-4,7-17,20-21H,5-6,18-19,22H2,(H,45,46,47)(H,48,49,50)
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n/an/a 9.10E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386275
PNG
(CHEMBL2040988)
Show SMILES CN(C(=O)[C@H]1CCCCN1C(=O)c1ccc(Cl)s1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C23H26ClN3O3S/c1-25(16-8-10-17(11-9-16)26-14-5-3-7-21(26)28)22(29)18-6-2-4-15-27(18)23(30)19-12-13-20(24)31-19/h8-13,18H,2-7,14-15H2,1H3/t18-/m1/s1
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n/an/a 9.90E+4n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427860
PNG
(CHEMBL2326078)
Show SMILES OS(=O)(=O)Oc1cccc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C35H29N7O10S2/c43-34-28-13-1-3-15-30(28)36-32(23-9-7-11-26(19-23)51-53(45,46)47)41(34)18-6-5-17-40-21-25(38-39-40)22-42-33(37-31-16-4-2-14-29(31)35(42)44)24-10-8-12-27(20-24)52-54(48,49)50/h1-4,7-16,19-21H,5-6,17-18,22H2,(H,45,46,47)(H,48,49,50)
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n/an/a 1.02E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386281
PNG
(CHEMBL2040971)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ncc(o1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C34H33ClN4O4/c1-37(27-13-15-28(16-14-27)38-19-5-4-8-32(38)40)34(42)29-20-24-6-2-3-7-25(24)22-39(29)33(41)18-17-31-36-21-30(43-31)23-9-11-26(35)12-10-23/h2-3,6-7,9-16,21,29H,4-5,8,17-20,22H2,1H3/t29-/m0/s1
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n/an/a 1.03E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427858
PNG
(CHEMBL2326080)
Show SMILES COc1cc(ccc1OS(O)(=O)=O)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2ccc(OS(O)(=O)=O)c(OC)c2)nn1
Show InChI InChI=1S/C37H33N7O12S2/c1-53-32-19-23(13-15-30(32)55-57(47,48)49)34-38-28-11-5-3-9-26(28)36(45)43(34)18-8-7-17-42-21-25(40-41-42)22-44-35(39-29-12-6-4-10-27(29)37(44)46)24-14-16-31(33(20-24)54-2)56-58(50,51)52/h3-6,9-16,19-21H,7-8,17-18,22H2,1-2H3,(H,47,48,49)(H,50,51,52)
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n/an/a 1.39E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386282
PNG
(CHEMBL2040852)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C29H30ClN3O4S/c1-31(25-13-15-26(16-14-25)32-17-5-4-8-28(32)34)29(35)27-18-22-6-2-3-7-23(22)19-33(27)38(36,37)20-21-9-11-24(30)12-10-21/h2-3,6-7,9-16,27H,4-5,8,17-20H2,1H3/t27-/m0/s1
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n/an/a 1.51E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427859
PNG
(CHEMBL2326079)
Show SMILES CC(=O)Oc1cc(OS(O)(=O)=O)cc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(O)cc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C37H31N7O13S2/c1-22(45)55-27-15-24(17-29(19-27)57-59(52,53)54)34-38-32-10-4-2-8-30(32)36(47)43(34)13-7-6-12-42-20-25(40-41-42)21-44-35(39-33-11-5-3-9-31(33)37(44)48)23-14-26(46)18-28(16-23)56-58(49,50)51/h2-5,8-11,14-20,46H,6-7,12-13,21H2,1H3,(H,49,50,51)(H,52,53,54)
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n/an/a 1.53E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427856
PNG
(CHEMBL2326342)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C35H29N7O10S2/c43-34-28-10-1-3-12-30(28)36-32(23-14-16-26(17-15-23)51-53(45,46)47)41(34)19-6-5-18-40-21-25(38-39-40)22-42-33(37-31-13-4-2-11-29(31)35(42)44)24-8-7-9-27(20-24)52-54(48,49)50/h1-4,7-17,20-21H,5-6,18-19,22H2,(H,45,46,47)(H,48,49,50)
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n/an/a 1.59E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427851
PNG
(CHEMBL2326347)
Show SMILES COc1cc(ccc1OS(O)(=O)=O)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C36H31N7O11S2/c1-52-32-20-24(15-16-31(32)54-56(49,50)51)33-37-29-13-4-2-11-27(29)35(44)42(33)18-7-6-17-41-21-25(39-40-41)22-43-34(38-30-14-5-3-12-28(30)36(43)45)23-9-8-10-26(19-23)53-55(46,47)48/h2-5,8-16,19-21H,6-7,17-18,22H2,1H3,(H,46,47,48)(H,49,50,51)
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n/an/a 1.82E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386263
PNG
(CHEMBL2040975)
Show SMILES COc1ccc(CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)N(C)c2ccc(cc2)N2CCOCC2=O)cc1
Show InChI InChI=1S/C31H33N3O5/c1-32(25-10-12-26(13-11-25)33-17-18-39-21-30(33)36)31(37)28-19-23-5-3-4-6-24(23)20-34(28)29(35)16-9-22-7-14-27(38-2)15-8-22/h3-8,10-15,28H,9,16-21H2,1-2H3/t28-/m0/s1
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n/an/a 1.90E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386250
PNG
(CHEMBL2040960)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C29H28ClN3O3/c1-31(24-13-15-25(16-14-24)32-17-5-4-8-27(32)34)29(36)26-18-21-6-2-3-7-22(21)19-33(26)28(35)20-9-11-23(30)12-10-20/h2-3,6-7,9-16,26H,4-5,8,17-19H2,1H3/t26-/m0/s1
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n/an/a 1.97E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50386251
PNG
(CHEMBL2040961)
Show SMILES CN(C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C)cc1)c1ccc(cc1)N1CCCCC1=O
Show InChI InChI=1S/C30H31N3O3/c1-21-10-12-22(13-11-21)29(35)33-20-24-8-4-3-7-23(24)19-27(33)30(36)31(2)25-14-16-26(17-15-25)32-18-6-5-9-28(32)34/h3-4,7-8,10-17,27H,5-6,9,18-20H2,1-2H3/t27-/m0/s1
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n/an/a 2.09E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a using chromogenic spectrozyme F10a as substrate after 10 mins by spectrophotometry


Eur J Med Chem 54: 771-83 (2012)


Article DOI: 10.1016/j.ejmech.2012.06.032
BindingDB Entry DOI: 10.7270/Q20P1126
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427850
PNG
(CHEMBL2326348)
Show SMILES OS(=O)(=O)Oc1cccc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(OS(O)(=O)=O)cc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C35H29N7O14S3/c43-34-28-10-1-3-12-30(28)36-32(22-8-7-9-25(16-22)54-57(45,46)47)41(34)15-6-5-14-40-20-24(38-39-40)21-42-33(37-31-13-4-2-11-29(31)35(42)44)23-17-26(55-58(48,49)50)19-27(18-23)56-59(51,52)53/h1-4,7-13,16-20H,5-6,14-15,21H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)
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n/an/a 2.13E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
Coagulation factor XI


(Homo sapiens (human))
BDBM50427846
PNG
(CHEMBL2326352)
Show SMILES COc1cc(ccc1OS(O)(=O)=O)-c1nc2ccccc2c(=O)n1CCCCn1cc(COc2cc(ccc2OS(O)(=O)=O)-c2oc3cc(OS(O)(=O)=O)cc(OC)c3c(=O)c2OS(O)(=O)=O)nn1
Show InChI InChI=1S/C38H33N5O22S4/c1-58-29-16-22(10-12-27(29)63-67(49,50)51)37-39-26-8-4-3-7-25(26)38(45)43(37)14-6-5-13-42-19-23(40-41-42)20-60-30-15-21(9-11-28(30)64-68(52,53)54)35-36(65-69(55,56)57)34(44)33-31(59-2)17-24(18-32(33)61-35)62-66(46,47)48/h3-4,7-12,15-19H,5-6,13-14,20H2,1-2H3,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)
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Article
PubMed
n/an/a 2.16E+5n/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Inhibition of human factor 11a using S2366 as substrate after 10 mins by spectrophotometry


J Med Chem 56: 2415-28 (2013)


Article DOI: 10.1021/jm301757v
BindingDB Entry DOI: 10.7270/Q27M0989
More data for this
Ligand-Target Pair
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