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PubMed code 21641796

Compile data set for download or QSAR
Found 30 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 VII


(Homo sapiens (Human))
BDBM50347173
PNG
(CHEMBL1797527)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H46N6O5/c41-39(42)43-24-14-13-23-33(36(47)27-31-19-9-3-10-20-31)44-37(48)34(25-29-15-5-1-6-16-29)45-38(49)35(26-30-17-7-2-8-18-30)46-40(50)51-28-32-21-11-4-12-22-32/h1-12,15-22,33-35H,13-14,23-28H2,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/t33-,34-,35+/m0/s1
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PubMed
8.00E+3n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by linear fitting analysis


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50347170
PNG
(CHEMBL1797524)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C39H46N6O5S/c40-39(41)42-24-14-13-23-33(36(46)27-31-19-9-3-10-20-31)43-37(47)34(25-29-15-5-1-6-16-29)44-38(48)35(26-30-17-7-2-8-18-30)45-51(49,50)28-32-21-11-4-12-22-32/h1-12,15-22,33-35,45H,13-14,23-28H2,(H,43,47)(H,44,48)(H4,40,41,42)/t33-,34-,35-/m0/s1
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4.30E+4n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by linear fitting analysis


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50347172
PNG
(CHEMBL1797526)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H46N6O5/c41-39(42)43-24-14-13-23-33(36(47)27-31-19-9-3-10-20-31)44-37(48)34(25-29-15-5-1-6-16-29)45-38(49)35(26-30-17-7-2-8-18-30)46-40(50)51-28-32-21-11-4-12-22-32/h1-12,15-22,33-35H,13-14,23-28H2,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/t33-,34-,35-/m0/s1
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PubMed
8.90E+4n/an/an/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by linear fitting analysis


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50347173
PNG
(CHEMBL1797527)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H46N6O5/c41-39(42)43-24-14-13-23-33(36(47)27-31-19-9-3-10-20-31)44-37(48)34(25-29-15-5-1-6-16-29)45-38(49)35(26-30-17-7-2-8-18-30)46-40(50)51-28-32-21-11-4-12-22-32/h1-12,15-22,33-35H,13-14,23-28H2,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/t33-,34-,35+/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50347170
PNG
(CHEMBL1797524)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C39H46N6O5S/c40-39(41)42-24-14-13-23-33(36(46)27-31-19-9-3-10-20-31)43-37(47)34(25-29-15-5-1-6-16-29)44-38(48)35(26-30-17-7-2-8-18-30)45-51(49,50)28-32-21-11-4-12-22-32/h1-12,15-22,33-35,45H,13-14,23-28H2,(H,43,47)(H,44,48)(H4,40,41,42)/t33-,34-,35-/m0/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50347172
PNG
(CHEMBL1797526)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H46N6O5/c41-39(42)43-24-14-13-23-33(36(47)27-31-19-9-3-10-20-31)44-37(48)34(25-29-15-5-1-6-16-29)45-38(49)35(26-30-17-7-2-8-18-30)46-40(50)51-28-32-21-11-4-12-22-32/h1-12,15-22,33-35H,13-14,23-28H2,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/t33-,34-,35-/m0/s1
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n/an/a 1.09E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50347169
PNG
(CHEMBL1797523)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C34H42N6O4/c1-24(41)38-29(21-25-13-5-2-6-14-25)32(43)40-30(22-26-15-7-3-8-16-26)33(44)39-28(19-11-12-20-37-34(35)36)31(42)23-27-17-9-4-10-18-27/h2-10,13-18,28-30H,11-12,19-23H2,1H3,(H,38,41)(H,39,44)(H,40,43)(H4,35,36,37)/t28-,29-,30-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50347169
PNG
(CHEMBL1797523)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C34H42N6O4/c1-24(41)38-29(21-25-13-5-2-6-14-25)32(43)40-30(22-26-15-7-3-8-16-26)33(44)39-28(19-11-12-20-37-34(35)36)31(42)23-27-17-9-4-10-18-27/h2-10,13-18,28-30H,11-12,19-23H2,1H3,(H,38,41)(H,39,44)(H,40,43)(H4,35,36,37)/t28-,29-,30-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50347169
PNG
(CHEMBL1797523)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C34H42N6O4/c1-24(41)38-29(21-25-13-5-2-6-14-25)32(43)40-30(22-26-15-7-3-8-16-26)33(44)39-28(19-11-12-20-37-34(35)36)31(42)23-27-17-9-4-10-18-27/h2-10,13-18,28-30H,11-12,19-23H2,1H3,(H,38,41)(H,39,44)(H,40,43)(H4,35,36,37)/t28-,29-,30-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of F10a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50347173
PNG
(CHEMBL1797527)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H46N6O5/c41-39(42)43-24-14-13-23-33(36(47)27-31-19-9-3-10-20-31)44-37(48)34(25-29-15-5-1-6-16-29)45-38(49)35(26-30-17-7-2-8-18-30)46-40(50)51-28-32-21-11-4-12-22-32/h1-12,15-22,33-35H,13-14,23-28H2,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/t33-,34-,35+/m0/s1
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n/an/a 4.40E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of F10a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50347172
PNG
(CHEMBL1797526)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H46N6O5/c41-39(42)43-24-14-13-23-33(36(47)27-31-19-9-3-10-20-31)44-37(48)34(25-29-15-5-1-6-16-29)45-38(49)35(26-30-17-7-2-8-18-30)46-40(50)51-28-32-21-11-4-12-22-32/h1-12,15-22,33-35H,13-14,23-28H2,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/t33-,34-,35-/m0/s1
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n/an/a 5.08E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of F10a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50347173
PNG
(CHEMBL1797527)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H46N6O5/c41-39(42)43-24-14-13-23-33(36(47)27-31-19-9-3-10-20-31)44-37(48)34(25-29-15-5-1-6-16-29)45-38(49)35(26-30-17-7-2-8-18-30)46-40(50)51-28-32-21-11-4-12-22-32/h1-12,15-22,33-35H,13-14,23-28H2,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/t33-,34-,35+/m0/s1
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n/an/a 5.60E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50347167
PNG
(CHEMBL1797521)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C36H48N6O5S/c1-26(2)22-31(34(44)40-30(20-12-13-21-39-36(37)38)33(43)24-28-16-8-4-9-17-28)41-35(45)32(23-27-14-6-3-7-15-27)42-48(46,47)25-29-18-10-5-11-19-29/h3-11,14-19,26,30-32,42H,12-13,20-25H2,1-2H3,(H,40,44)(H,41,45)(H4,37,38,39)/t30-,31-,32-/m0/s1
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n/an/a>5.80E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50347167
PNG
(CHEMBL1797521)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C36H48N6O5S/c1-26(2)22-31(34(44)40-30(20-12-13-21-39-36(37)38)33(43)24-28-16-8-4-9-17-28)41-35(45)32(23-27-14-6-3-7-15-27)42-48(46,47)25-29-18-10-5-11-19-29/h3-11,14-19,26,30-32,42H,12-13,20-25H2,1-2H3,(H,40,44)(H,41,45)(H4,37,38,39)/t30-,31-,32-/m0/s1
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n/an/a>5.80E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50347167
PNG
(CHEMBL1797521)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C36H48N6O5S/c1-26(2)22-31(34(44)40-30(20-12-13-21-39-36(37)38)33(43)24-28-16-8-4-9-17-28)41-35(45)32(23-27-14-6-3-7-15-27)42-48(46,47)25-29-18-10-5-11-19-29/h3-11,14-19,26,30-32,42H,12-13,20-25H2,1-2H3,(H,40,44)(H,41,45)(H4,37,38,39)/t30-,31-,32-/m0/s1
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n/an/a>5.80E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of F10a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50347170
PNG
(CHEMBL1797524)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C39H46N6O5S/c40-39(41)42-24-14-13-23-33(36(46)27-31-19-9-3-10-20-31)43-37(47)34(25-29-15-5-1-6-16-29)44-38(48)35(26-30-17-7-2-8-18-30)45-51(49,50)28-32-21-11-4-12-22-32/h1-12,15-22,33-35,45H,13-14,23-28H2,(H,43,47)(H,44,48)(H4,40,41,42)/t33-,34-,35-/m0/s1
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n/an/a>5.90E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of F10a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50347170
PNG
(CHEMBL1797524)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C39H46N6O5S/c40-39(41)42-24-14-13-23-33(36(46)27-31-19-9-3-10-20-31)43-37(47)34(25-29-15-5-1-6-16-29)44-38(48)35(26-30-17-7-2-8-18-30)45-51(49,50)28-32-21-11-4-12-22-32/h1-12,15-22,33-35,45H,13-14,23-28H2,(H,43,47)(H,44,48)(H4,40,41,42)/t33-,34-,35-/m0/s1
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n/an/a>5.90E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50347171
PNG
(CHEMBL1797525)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C39H46N6O5S/c40-39(41)42-24-14-13-23-33(36(46)27-31-19-9-3-10-20-31)43-37(47)34(25-29-15-5-1-6-16-29)44-38(48)35(26-30-17-7-2-8-18-30)45-51(49,50)28-32-21-11-4-12-22-32/h1-12,15-22,33-35,45H,13-14,23-28H2,(H,43,47)(H,44,48)(H4,40,41,42)/t33-,34-,35+/m0/s1
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n/an/a>6.40E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of F10a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50347171
PNG
(CHEMBL1797525)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C39H46N6O5S/c40-39(41)42-24-14-13-23-33(36(46)27-31-19-9-3-10-20-31)43-37(47)34(25-29-15-5-1-6-16-29)44-38(48)35(26-30-17-7-2-8-18-30)45-51(49,50)28-32-21-11-4-12-22-32/h1-12,15-22,33-35,45H,13-14,23-28H2,(H,43,47)(H,44,48)(H4,40,41,42)/t33-,34-,35+/m0/s1
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n/an/a>6.40E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50347171
PNG
(CHEMBL1797525)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C39H46N6O5S/c40-39(41)42-24-14-13-23-33(36(46)27-31-19-9-3-10-20-31)43-37(47)34(25-29-15-5-1-6-16-29)44-38(48)35(26-30-17-7-2-8-18-30)45-51(49,50)28-32-21-11-4-12-22-32/h1-12,15-22,33-35,45H,13-14,23-28H2,(H,43,47)(H,44,48)(H4,40,41,42)/t33-,34-,35+/m0/s1
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n/an/a 6.40E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50347172
PNG
(CHEMBL1797526)
Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C40H46N6O5/c41-39(42)43-24-14-13-23-33(36(47)27-31-19-9-3-10-20-31)44-37(48)34(25-29-15-5-1-6-16-29)45-38(49)35(26-30-17-7-2-8-18-30)46-40(50)51-28-32-21-11-4-12-22-32/h1-12,15-22,33-35H,13-14,23-28H2,(H,44,48)(H,45,49)(H,46,50)(H4,41,42,43)/t33-,34-,35-/m0/s1
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n/an/a>6.50E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50347166
PNG
(CHEMBL1797520)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C29H40N6O6/c1-18(36)26(35-27(40)24(33-19(2)37)16-21-11-13-22(38)14-12-21)28(41)34-23(10-6-7-15-32-29(30)31)25(39)17-20-8-4-3-5-9-20/h3-5,8-9,11-14,18,23-24,26,36,38H,6-7,10,15-17H2,1-2H3,(H,33,37)(H,34,41)(H,35,40)(H4,30,31,32)/t18-,23+,24+,26+/m1/s1
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n/an/a 1.08E+6n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of F10a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50347165
PNG
(CHEMBL1797519)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C27H38N6O5/c1-17(34)24(33-25(37)21(28)15-19-10-12-20(35)13-11-19)26(38)32-22(9-5-6-14-31-27(29)30)23(36)16-18-7-3-2-4-8-18/h2-4,7-8,10-13,17,21-22,24,34-35H,5-6,9,14-16,28H2,1H3,(H,32,38)(H,33,37)(H4,29,30,31)/t17-,21+,22+,24+/m1/s1
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n/an/a>1.34E+6n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50347166
PNG
(CHEMBL1797520)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C29H40N6O6/c1-18(36)26(35-27(40)24(33-19(2)37)16-21-11-13-22(38)14-12-21)28(41)34-23(10-6-7-15-32-29(30)31)25(39)17-20-8-4-3-5-9-20/h3-5,8-9,11-14,18,23-24,26,36,38H,6-7,10,15-17H2,1-2H3,(H,33,37)(H,34,41)(H,35,40)(H4,30,31,32)/t18-,23+,24+,26+/m1/s1
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n/an/a>1.34E+6n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50347166
PNG
(CHEMBL1797520)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C29H40N6O6/c1-18(36)26(35-27(40)24(33-19(2)37)16-21-11-13-22(38)14-12-21)28(41)34-23(10-6-7-15-32-29(30)31)25(39)17-20-8-4-3-5-9-20/h3-5,8-9,11-14,18,23-24,26,36,38H,6-7,10,15-17H2,1-2H3,(H,33,37)(H,34,41)(H,35,40)(H4,30,31,32)/t18-,23+,24+,26+/m1/s1
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n/an/a>1.34E+6n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50347165
PNG
(CHEMBL1797519)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C27H38N6O5/c1-17(34)24(33-25(37)21(28)15-19-10-12-20(35)13-11-19)26(38)32-22(9-5-6-14-31-27(29)30)23(36)16-18-7-3-2-4-8-18/h2-4,7-8,10-13,17,21-22,24,34-35H,5-6,9,14-16,28H2,1H3,(H,32,38)(H,33,37)(H4,29,30,31)/t17-,21+,22+,24+/m1/s1
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n/an/a>1.34E+6n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of F10a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50347165
PNG
(CHEMBL1797519)
Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C27H38N6O5/c1-17(34)24(33-25(37)21(28)15-19-10-12-20(35)13-11-19)26(38)32-22(9-5-6-14-31-27(29)30)23(36)16-18-7-3-2-4-8-18/h2-4,7-8,10-13,17,21-22,24,34-35H,5-6,9,14-16,28H2,1H3,(H,32,38)(H,33,37)(H4,29,30,31)/t17-,21+,22+,24+/m1/s1
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n/an/a>1.34E+6n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50347168
PNG
(CHEMBL1797522)
Show SMILES [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C32H40N6O3/c33-26(20-23-12-4-1-5-13-23)30(40)38-28(21-24-14-6-2-7-15-24)31(41)37-27(18-10-11-19-36-32(34)35)29(39)22-25-16-8-3-9-17-25/h1-9,12-17,26-28H,10-11,18-22,33H2,(H,37,41)(H,38,40)(H4,34,35,36)/t26-,27-,28-/m0/s1
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n/an/a>1.48E+6n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of thrombin using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50347168
PNG
(CHEMBL1797522)
Show SMILES [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C32H40N6O3/c33-26(20-23-12-4-1-5-13-23)30(40)38-28(21-24-14-6-2-7-15-24)31(41)37-27(18-10-11-19-36-32(34)35)29(39)22-25-16-8-3-9-17-25/h1-9,12-17,26-28H,10-11,18-22,33H2,(H,37,41)(H,38,40)(H4,34,35,36)/t26-,27-,28-/m0/s1
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n/an/a>1.48E+6n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of F10a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
Coagulation factor VII


(Homo sapiens (Human))
BDBM50347168
PNG
(CHEMBL1797522)
Show SMILES [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#6]-c1ccccc1 |r|
Show InChI InChI=1S/C32H40N6O3/c33-26(20-23-12-4-1-5-13-23)30(40)38-28(21-24-14-6-2-7-15-24)31(41)37-27(18-10-11-19-36-32(34)35)29(39)22-25-16-8-3-9-17-25/h1-9,12-17,26-28H,10-11,18-22,33H2,(H,37,41)(H,38,40)(H4,34,35,36)/t26-,27-,28-/m0/s1
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n/an/a>1.48E+6n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Inhibition of recombinant F7a using S-2288 as substrate after 15 mins by competitive binding assay


Bioorg Med Chem Lett 21: 3918-22 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.025
BindingDB Entry DOI: 10.7270/Q28G8M1V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%