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PubMed code 23451707

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
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))
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 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 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 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 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 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 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 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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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
Coagulation factor XI


(Homo sapiens (human))
BDBM50427849
PNG
(CHEMBL2326349)
Show SMILES CC(=O)Oc1cc(OS(O)(=O)=O)cc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(OS(O)(=O)=O)cc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C37H31N7O16S3/c1-22(45)57-26-14-23(15-27(18-26)58-61(48,49)50)34-38-32-10-4-2-8-30(32)36(46)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)47)24-16-28(59-62(51,52)53)19-29(17-24)60-63(54,55)56/h2-5,8-11,14-20H,6-7,12-13,21H2,1H3,(H,48,49,50)(H,51,52,53)(H,54,55,56)
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n/an/a 2.73E+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))
BDBM50427844
PNG
(CHEMBL2326354)
Show SMILES OS(=O)(=O)Oc1ccc(cc1)-c1nc2ccccc2c(=O)n1Cc1cn(CCn2cc(Cn3c(nc4ccccc4c3=O)-c3ccc(OS(O)(=O)=O)cc3)nn2)nn1
Show InChI InChI=1S/C36H28N10O10S2/c47-35-29-5-1-3-7-31(29)37-33(23-9-13-27(14-10-23)55-57(49,50)51)45(35)21-25-19-43(41-39-25)17-18-44-20-26(40-42-44)22-46-34(38-32-8-4-2-6-30(32)36(46)48)24-11-15-28(16-12-24)56-58(52,53)54/h1-16,19-20H,17-18,21-22H2,(H,49,50,51)(H,52,53,54)
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n/an/a 3.05E+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))
BDBM50427857
PNG
(CHEMBL2326341)
Show SMILES OS(=O)(=O)Oc1cccc(c1)-c1nc2ccccc2c(=O)n1CCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C34H27N7O10S2/c42-33-27-12-1-3-14-29(27)35-31(22-8-5-10-25(18-22)50-52(44,45)46)40(33)17-7-16-39-20-24(37-38-39)21-41-32(36-30-15-4-2-13-28(30)34(41)43)23-9-6-11-26(19-23)51-53(47,48)49/h1-6,8-15,18-20H,7,16-17,21H2,(H,44,45,46)(H,47,48,49)
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n/an/a 3.20E+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))
BDBM50427845
PNG
(CHEMBL2326353)
Show SMILES COc1cc(OS(O)(=O)=O)cc2oc(-c3ccc(OS(O)(=O)=O)c(OCc4cn(CCCCn5c(nc6ccccc6c5=O)-c5cc(OC(C)=O)cc(OS(O)(=O)=O)c5)nn4)c3)c(OS(O)(=O)=O)c(=O)c12
Show InChI InChI=1S/C39H33N5O23S4/c1-21(45)62-25-13-23(14-26(16-25)64-68(48,49)50)38-40-29-8-4-3-7-28(29)39(47)44(38)12-6-5-11-43-19-24(41-42-43)20-61-31-15-22(9-10-30(31)66-70(54,55)56)36-37(67-71(57,58)59)35(46)34-32(60-2)17-27(18-33(34)63-36)65-69(51,52)53/h3-4,7-10,13-19H,5-6,11-12,20H2,1-2H3,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)
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n/an/a 4.07E+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))
BDBM50427861
PNG
(CHEMBL2326077)
Show SMILES CC(=O)Oc1cccc(c1)-c1nc2ccccc2c(=O)n1Cc1cn(CCCCn2c(nc3ccccc3c2=O)-c2cccc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C37H31N7O8S/c1-24(45)51-28-12-8-10-25(20-28)35-39-33-17-5-3-15-31(33)37(47)44(35)23-27-22-42(41-40-27)18-6-7-19-43-34(38-32-16-4-2-14-30(32)36(43)46)26-11-9-13-29(21-26)52-53(48,49)50/h2-5,8-17,20-22H,6-7,18-19,23H2,1H3,(H,48,49,50)
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n/an/a>1.00E+6n/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))
BDBM50427848
PNG
(CHEMBL2326350)
Show SMILES OS(=O)(=O)Oc1cc(OS(O)(=O)=O)cc(c1)-c1nc2ccccc2c(=O)n1CCCCn1cc(Cn2c(nc3ccccc3c2=O)-c2cc(OS(O)(=O)=O)cc(OS(O)(=O)=O)c2)nn1
Show InChI InChI=1S/C35H29N7O18S4/c43-34-28-7-1-3-9-30(28)36-32(21-13-24(57-61(45,46)47)17-25(14-21)58-62(48,49)50)41(34)12-6-5-11-40-19-23(38-39-40)20-42-33(37-31-10-4-2-8-29(31)35(42)44)22-15-26(59-63(51,52)53)18-27(16-22)60-64(54,55)56/h1-4,7-10,13-19H,5-6,11-12,20H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)
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n/an/a>1.00E+6n/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))
BDBM50427847
PNG
(CHEMBL2326351)
Show SMILES COc1cc(OS(O)(=O)=O)cc2oc(-c3ccc(OS(O)(=O)=O)c(OCc4cn(CCCCn5c(nc6ccccc6c5=O)-c5cccc(OS(O)(=O)=O)c5)nn4)c3)c(OS(O)(=O)=O)c(=O)c12
Show InChI InChI=1S/C37H31N5O21S4/c1-57-30-17-25(61-65(48,49)50)18-31-32(30)33(43)35(63-67(54,55)56)34(59-31)21-11-12-28(62-66(51,52)53)29(16-21)58-20-23-19-41(40-39-23)13-4-5-14-42-36(38-27-10-3-2-9-26(27)37(42)44)22-7-6-8-24(15-22)60-64(45,46)47/h2-3,6-12,15-19H,4-5,13-14,20H2,1H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)
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n/an/a>1.00E+6n/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))
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/an/a 3.70E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a-DEGR by spectrofluorometry


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/an/a 9.10E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a-DEGR by spectrofluorometry


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))
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/an/a 8.40E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a-DEGR by spectrofluorometry


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))
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/an/a 3.80E+4n/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity to human factor 11a-DEGR by spectrofluorometry


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
* indicates data uncertainty>20%