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Compile Data Set for Download or QSAR

Found 320 hits Enz. Inhib. hit(s) with Target = 'Coagulation factor V'   
Target
(Institution)
LigandTarget
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
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193234
PNG
(CHEMBL211973 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C29H37N5O4/c30-26(31)21-12-10-20(11-13-21)17-33-28(38)29(15-22-8-4-5-9-23(22)16-29)34-27(37)24(32-18-25(35)36)14-19-6-2-1-3-7-19/h4-5,8-13,19,24,32H,1-3,6-7,14-18H2,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t24-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447515
PNG
(CHEMBL3115901)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C28H38N6O4/c29-22-12-8-19(9-13-22)15-24(27(37)33-16-20-6-10-21(11-7-20)26(30)31)34-28(38)23(32-17-25(35)36)14-18-4-2-1-3-5-18/h6-13,18,23-24,32H,1-5,14-17,29H2,(H3,30,31)(H,33,37)(H,34,38)(H,35,36)/t23-,24+/m1/s1
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n/an/a 130n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50138156
PNG
(Biphenyl-4-carboxylic acid {1-[(3-aminomethyl-phen...)
Show SMILES NCc1cccc(NC(=O)CN2CCCCC(NC(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1
Show InChI InChI=1S/C28H30N4O3/c29-18-20-7-6-10-24(17-20)30-26(33)19-32-16-5-4-11-25(28(32)35)31-27(34)23-14-12-22(13-15-23)21-8-2-1-3-9-21/h1-3,6-10,12-15,17,25H,4-5,11,16,18-19,29H2,(H,30,33)(H,31,34)
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n/an/a>130n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human activated protein C (APC)


Bioorg Med Chem Lett 14: 309-12 (2003)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50138161
PNG
(CHEMBL321466 | N-{1-[(3-Aminomethyl-phenylcarbamoy...)
Show SMILES NCc1cccc(NC(=O)CN2CCCCC(NC(=O)CC(c3ccccc3)c3ccccc3)C2=O)c1
Show InChI InChI=1S/C30H34N4O3/c31-20-22-10-9-15-25(18-22)32-29(36)21-34-17-8-7-16-27(30(34)37)33-28(35)19-26(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-6,9-15,18,26-27H,7-8,16-17,19-21,31H2,(H,32,36)(H,33,35)
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n/an/a>170n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human activated protein C (APC)


Bioorg Med Chem Lett 14: 309-12 (2003)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193230
PNG
(CHEMBL215639 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccc3ccccc3c2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H33N5O4/c1-17(2)25(32-16-24(35)36)27(37)34-29(28(38)33-15-18-7-9-20(10-8-18)26(30)31)13-21-12-11-19-5-3-4-6-22(19)23(21)14-29/h3-12,17,25,32H,13-16H2,1-2H3,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t25-,29?/m1/s1
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n/an/a 250n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447516
PNG
(CHEMBL3115900)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C28H37N5O5/c29-26(30)21-10-6-20(7-11-21)16-32-27(37)24(15-19-8-12-22(34)13-9-19)33-28(38)23(31-17-25(35)36)14-18-4-2-1-3-5-18/h6-13,18,23-24,31,34H,1-5,14-17H2,(H3,29,30)(H,32,37)(H,33,38)(H,35,36)/t23-,24+/m1/s1
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n/an/a 260n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193224
PNG
(((R)-1-{[(S)-(4-carbamimidoyl-benzylcarbamoyl)-ind...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H33N5O4/c1-15(2)22(29-14-21(32)33)26(35)31-23(20-11-18-5-3-4-6-19(18)12-20)25(34)30-13-16-7-9-17(10-8-16)24(27)28/h3-10,15,20,22-23,29H,11-14H2,1-2H3,(H3,27,28)(H,30,34)(H,31,35)(H,32,33)/t22-,23+/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193229
PNG
(CHEMBL215357 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cccc3cccc(C1)c23)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C29H33N5O4/c1-17(2)25(32-16-23(35)36)27(37)34-29(28(38)33-15-18-9-11-20(12-10-18)26(30)31)13-21-7-3-5-19-6-4-8-22(14-29)24(19)21/h3-12,17,25,32H,13-16H2,1-2H3,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t25-/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50138154
PNG
(Biphenyl-4-carboxylic acid {1-[(5-aminomethyl-2-me...)
Show SMILES Cc1ccc(CN)cc1NC(=O)CN1CCCCC(NC(=O)c2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C29H32N4O3/c1-20-10-11-21(18-30)17-26(20)31-27(34)19-33-16-6-5-9-25(29(33)36)32-28(35)24-14-12-23(13-15-24)22-7-3-2-4-8-22/h2-4,7-8,10-15,17,25H,5-6,9,16,18-19,30H2,1H3,(H,31,34)(H,32,35)
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n/an/a>450n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human activated protein C (APC)


Bioorg Med Chem Lett 14: 309-12 (2003)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447528
PNG
(CHEMBL3115904)
Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H40N8O4/c26-22(27)18-10-8-17(9-11-18)14-32-23(36)19(7-4-12-30-25(28)29)33-24(37)20(31-15-21(34)35)13-16-5-2-1-3-6-16/h8-11,16,19-20,31H,1-7,12-15H2,(H3,26,27)(H,32,36)(H,33,37)(H,34,35)(H4,28,29,30)/t19-,20+/m0/s1
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n/an/a 470n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447523
PNG
(CHEMBL3115897)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C28H37N5O4/c29-26(30)22-13-11-21(12-14-22)17-32-27(36)24(16-20-9-5-2-6-10-20)33-28(37)23(31-18-25(34)35)15-19-7-3-1-4-8-19/h2,5-6,9-14,19,23-24,31H,1,3-4,7-8,15-18H2,(H3,29,30)(H,32,36)(H,33,37)(H,34,35)/t23-,24+/m1/s1
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n/an/a 670n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193242
PNG
(CHEMBL212789 | {(R)-1-[(S)-1-(4-carbamimidoyl-benz...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H31N5O4/c1-15(2)21(27-14-20(30)31)24(33)29-19(12-16-6-4-3-5-7-16)23(32)28-13-17-8-10-18(11-9-17)22(25)26/h3-11,15,19,21,27H,12-14H2,1-2H3,(H3,25,26)(H,28,32)(H,29,33)(H,30,31)/t19-,21+/m0/s1
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n/an/a 710n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193241
PNG
(CHEMBL380157 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)C[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H33N5O4/c1-16(2)11-21(29-15-22(32)33)24(34)31-26(12-19-5-3-4-6-20(19)13-26)25(35)30-14-17-7-9-18(10-8-17)23(27)28/h3-10,16,21,29H,11-15H2,1-2H3,(H3,27,28)(H,30,35)(H,31,34)(H,32,33)/t21-/m1/s1
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n/an/a 750n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193240
PNG
(CHEMBL426333 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C25H31N5O4/c1-15(2)21(28-14-20(31)32)23(33)30-25(11-18-5-3-4-6-19(18)12-25)24(34)29-13-16-7-9-17(10-8-16)22(26)27/h3-10,15,21,28H,11-14H2,1-2H3,(H3,26,27)(H,29,34)(H,30,33)(H,31,32)/t21-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193243
PNG
(({(R)-[2-(4-carbamimidoyl-benzylcarbamoyl)-indan-2...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
Show InChI InChI=1S/C28H35N5O4/c29-25(30)20-12-10-18(11-13-20)16-32-27(37)28(14-21-8-4-5-9-22(21)15-28)33-26(36)24(31-17-23(34)35)19-6-2-1-3-7-19/h4-5,8-13,19,24,31H,1-3,6-7,14-17H2,(H3,29,30)(H,32,37)(H,33,36)(H,34,35)/t24-/m1/s1
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n/an/a 820n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50138157
PNG
(Biphenyl-4-carboxylic acid {1-[(5-aminomethyl-2-ch...)
Show SMILES NCc1ccc(Cl)c(NC(=O)CN2CCCCC(NC(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1
Show InChI InChI=1S/C28H29ClN4O3/c29-23-14-9-19(17-30)16-25(23)31-26(34)18-33-15-5-4-8-24(28(33)36)32-27(35)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-3,6-7,9-14,16,24H,4-5,8,15,17-18,30H2,(H,31,34)(H,32,35)
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n/an/a>870n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of human activated protein C (APC)


Bioorg Med Chem Lett 14: 309-12 (2003)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447517
PNG
(CHEMBL3115894)
Show SMILES NC(=N)c1ccc(CNC(=O)C(CCC2CCNCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C28H44N6O4/c29-26(30)22-9-6-21(7-10-22)17-33-27(37)23(11-8-19-12-14-31-15-13-19)34-28(38)24(32-18-25(35)36)16-20-4-2-1-3-5-20/h6-7,9-10,19-20,23-24,31-32H,1-5,8,11-18H2,(H3,29,30)(H,33,37)(H,34,38)(H,35,36)/t23?,24-/m1/s1
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n/an/a 920n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447521
PNG
(CHEMBL3115899)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C32H39N5O4/c33-30(34)25-14-10-22(11-15-25)19-36-31(40)28(18-23-12-13-24-8-4-5-9-26(24)16-23)37-32(41)27(35-20-29(38)39)17-21-6-2-1-3-7-21/h4-5,8-16,21,27-28,35H,1-3,6-7,17-20H2,(H3,33,34)(H,36,40)(H,37,41)(H,38,39)/t27-,28+/m1/s1
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n/an/a 980n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193235
PNG
(CHEMBL215870 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cccnc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H30N6O4/c1-14(2)20(28-13-19(31)32)22(33)30-24(10-17-4-3-9-27-18(17)11-24)23(34)29-12-15-5-7-16(8-6-15)21(25)26/h3-9,14,20,28H,10-13H2,1-2H3,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t20-,24?/m1/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447522
PNG
(CHEMBL3115898)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C32H39N5O4/c33-30(34)24-15-13-22(14-16-24)19-36-31(40)28(18-25-11-6-10-23-9-4-5-12-26(23)25)37-32(41)27(35-20-29(38)39)17-21-7-2-1-3-8-21/h4-6,9-16,21,27-28,35H,1-3,7-8,17-20H2,(H3,33,34)(H,36,40)(H,37,41)(H,38,39)/t27-,28+/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447514
PNG
(CHEMBL3115903)
Show SMILES NCc1ccc(CC(NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)C(=O)NCc2ccc(cc2)C(N)=N)cc1
Show InChI InChI=1S/C29H40N6O4/c30-16-21-8-6-20(7-9-21)15-25(28(38)34-17-22-10-12-23(13-11-22)27(31)32)35-29(39)24(33-18-26(36)37)14-19-4-2-1-3-5-19/h6-13,19,24-25,33H,1-5,14-18,30H2,(H3,31,32)(H,34,38)(H,35,39)(H,36,37)/t24-,25?/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193228
PNG
(CHEMBL215556 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CCC(C)C[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H35N5O4/c1-3-17(2)12-22(30-16-23(33)34)25(35)32-27(13-20-6-4-5-7-21(20)14-27)26(36)31-15-18-8-10-19(11-9-18)24(28)29/h4-11,17,22,30H,3,12-16H2,1-2H3,(H3,28,29)(H,31,36)(H,32,35)(H,33,34)/t17?,22-/m1/s1
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n/an/a 1.12E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193235
PNG
(CHEMBL215870 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cccnc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H30N6O4/c1-14(2)20(28-13-19(31)32)22(33)30-24(10-17-4-3-9-27-18(17)11-24)23(34)29-12-15-5-7-16(8-6-15)21(25)26/h3-9,14,20,28H,10-13H2,1-2H3,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t20-,24?/m1/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447525
PNG
(CHEMBL3115893)
Show SMILES NC(=N)c1ccc(CNC(=O)C(CC2CCNCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C27H42N6O4/c28-25(29)21-8-6-20(7-9-21)16-32-26(36)23(15-19-10-12-30-13-11-19)33-27(37)22(31-17-24(34)35)14-18-4-2-1-3-5-18/h6-9,18-19,22-23,30-31H,1-5,10-17H2,(H3,28,29)(H,32,36)(H,33,37)(H,34,35)/t22-,23?/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM29388
PNG
(Exanta | Melagatran)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447527
PNG
(CHEMBL3115905)
Show SMILES N[C@H](C1CCCCC1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C22H36N8O2/c23-18(15-5-2-1-3-6-15)21(32)30-17(7-4-12-28-22(26)27)20(31)29-13-14-8-10-16(11-9-14)19(24)25/h8-11,15,17-18H,1-7,12-13,23H2,(H3,24,25)(H,29,31)(H,30,32)(H4,26,27,28)/t17-,18+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193232
PNG
(CHEMBL448732 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccncc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H30N6O4/c1-14(2)20(28-13-19(31)32)22(33)30-24(9-17-7-8-27-12-18(17)10-24)23(34)29-11-15-3-5-16(6-4-15)21(25)26/h3-8,12,14,20,28H,9-11,13H2,1-2H3,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t20-,24?/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193243
PNG
(({(R)-[2-(4-carbamimidoyl-benzylcarbamoyl)-indan-2...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1
Show InChI InChI=1S/C28H35N5O4/c29-25(30)20-12-10-18(11-13-20)16-32-27(37)28(14-21-8-4-5-9-22(21)15-28)33-26(36)24(31-17-23(34)35)19-6-2-1-3-7-19/h4-5,8-13,19,24,31H,1-3,6-7,14-17H2,(H3,29,30)(H,32,37)(H,33,36)(H,34,35)/t24-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50376425
PNG
(CHEMBL1162108)
Show SMILES OC(=O)c1cccc(c1)-c1ccc(C=c2c(=C)[nH]n(-c3ccc(Br)cc3)c2=O)o1
Show InChI InChI=1S/C22H15BrN2O4/c1-13-19(21(26)25(24-13)17-7-5-16(23)6-8-17)12-18-9-10-20(29-18)14-3-2-4-15(11-14)22(27)28/h2-12,24H,1H2,(H,27,28)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of factor 5a-mediated prothrombin activation in human plasma by prothrombinase assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193222
PNG
(2-{[(1R)-1-[(2-{[(4-carbamimidoylphenyl)methyl]car...)
Show SMILES CC[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H29N5O4/c1-2-19(27-14-20(30)31)22(32)29-24(11-17-5-3-4-6-18(17)12-24)23(33)28-13-15-7-9-16(10-8-15)21(25)26/h3-10,19,27H,2,11-14H2,1H3,(H3,25,26)(H,28,33)(H,29,32)(H,30,31)/t19-/m1/s1
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n/an/a 2.04E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50376418
PNG
(CHEMBL259312)
Show SMILES CCOc1cc(\C=C2\NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H23FN2O6/c1-2-35-24-14-18(9-12-23(24)36-16-17-7-10-19(11-8-17)26(32)33)13-22-25(31)30(27(34)29-22)15-20-5-3-4-6-21(20)28/h3-14H,2,15-16H2,1H3,(H,29,34)(H,32,33)/b22-13+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human factor 5a light chain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447519
PNG
(CHEMBL3115906)
Show SMILES NC(N)=NCCC[C@H](NC(=O)[C@@H](CC1CCCCC1)NCCC(O)=O)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H42N8O4/c27-23(28)19-10-8-18(9-11-19)16-33-24(37)20(7-4-13-32-26(29)30)34-25(38)21(31-14-12-22(35)36)15-17-5-2-1-3-6-17/h8-11,17,20-21,31H,1-7,12-16H2,(H3,27,28)(H,33,37)(H,34,38)(H,35,36)(H4,29,30,32)/t20-,21+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447518
PNG
(CHEMBL3115892)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H](NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)C2CCNCC2)cc1
Show InChI InChI=1S/C26H40N6O4/c27-24(28)20-8-6-18(7-9-20)15-31-26(36)23(19-10-12-29-13-11-19)32-25(35)21(30-16-22(33)34)14-17-4-2-1-3-5-17/h6-9,17,19,21,23,29-30H,1-5,10-16H2,(H3,27,28)(H,31,36)(H,32,35)(H,33,34)/t21-,23+/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447524
PNG
(CHEMBL3115896)
Show SMILES N[C@H](CC1CCCCC1)C(=O)NC(CCC1CCNCC1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H42N6O2/c27-22(16-19-4-2-1-3-5-19)25(33)32-23(11-8-18-12-14-30-15-13-18)26(34)31-17-20-6-9-21(10-7-20)24(28)29/h6-7,9-10,18-19,22-23,30H,1-5,8,11-17,27H2,(H3,28,29)(H,31,34)(H,32,33)/t22-,23?/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50376418
PNG
(CHEMBL259312)
Show SMILES CCOc1cc(\C=C2\NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C27H23FN2O6/c1-2-35-24-14-18(9-12-23(24)36-16-17-7-10-19(11-8-17)26(32)33)13-22-25(31)30(27(34)29-22)15-20-5-3-4-6-21(20)28/h3-14H,2,15-16H2,1H3,(H,29,34)(H,32,33)/b22-13+
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n/an/a 3.51E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 5a C2 domain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50114455
PNG
(2'-Sulfamoyl-biphenyl-4-carboxylic acid [2-(3-carb...)
Show SMILES NC(=N)c1cccc(OCCNC(=O)c2ccc(cc2)-c2ccccc2S(N)(=O)=O)c1
Show InChI InChI=1S/C22H22N4O4S/c23-21(24)17-4-3-5-18(14-17)30-13-12-26-22(27)16-10-8-15(9-11-16)19-6-1-2-7-20(19)31(25,28)29/h1-11,14H,12-13H2,(H3,23,24)(H,26,27)(H2,25,28,29)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory activity against activated protein C (APC)


Bioorg Med Chem Lett 12: 1657-61 (2002)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447520
PNG
(CHEMBL3115902)
Show SMILES NC(=N)c1ccc(CNC(=O)C(Cc2ccc(cc2)C#N)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C29H36N6O4/c30-16-21-8-6-20(7-9-21)15-25(28(38)34-17-22-10-12-23(13-11-22)27(31)32)35-29(39)24(33-18-26(36)37)14-19-4-2-1-3-5-19/h6-13,19,24-25,33H,1-5,14-15,17-18H2,(H3,31,32)(H,34,38)(H,35,39)(H,36,37)/t24-,25?/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50376419
PNG
(CHEMBL1162109)
Show SMILES CC(C)NC[C@@H](O)Cn1c2-c3cnn(c3CCc2c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C25H28N4O/c1-17(2)26-14-19(30)16-28-23-11-7-6-10-20(23)21-12-13-24-22(25(21)28)15-27-29(24)18-8-4-3-5-9-18/h3-11,15,17,19,26,30H,12-14,16H2,1-2H3/t19-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of factor 5a-mediated prothrombin activation in human plasma by prothrombinase assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193238
PNG
(CHEMBL213120 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C26H33N5O4/c1-25(2,3)21(29-15-20(32)33)23(34)31-26(12-18-6-4-5-7-19(18)13-26)24(35)30-14-16-8-10-17(11-9-16)22(27)28/h4-11,21,29H,12-15H2,1-3H3,(H3,27,28)(H,30,35)(H,31,34)(H,32,33)/t21-/m0/s1
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n/an/a 3.83E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50376423
PNG
(CHEMBL410427)
Show SMILES COc1cc(ccc1-c1ccc(\C=C2/C(=O)NC(=O)N(C2=O)c2ccc3OCOc3c2)o1)[N+]([O-])=O
Show InChI InChI=1S/C23H15N3O9/c1-32-19-9-13(26(30)31)2-5-15(19)17-7-4-14(35-17)10-16-21(27)24-23(29)25(22(16)28)12-3-6-18-20(8-12)34-11-33-18/h2-10H,11H2,1H3,(H,24,27,29)/b16-10+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human factor 5a light chain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50376423
PNG
(CHEMBL410427)
Show SMILES COc1cc(ccc1-c1ccc(\C=C2/C(=O)NC(=O)N(C2=O)c2ccc3OCOc3c2)o1)[N+]([O-])=O
Show InChI InChI=1S/C23H15N3O9/c1-32-19-9-13(26(30)31)2-5-15(19)17-7-4-14(35-17)10-16-21(27)24-23(29)25(22(16)28)12-3-6-18-20(8-12)34-11-33-18/h2-10H,11H2,1H3,(H,24,27,29)/b16-10+
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n/an/a 5.53E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 5a C2 domain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50447526
PNG
(CHEMBL3115907)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CC2CCCN2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C26H40N6O4/c27-24(28)19-10-8-18(9-11-19)15-31-25(35)22(14-20-7-4-12-29-20)32-26(36)21(30-16-23(33)34)13-17-5-2-1-3-6-17/h8-11,17,20-22,29-30H,1-7,12-16H2,(H3,27,28)(H,31,35)(H,32,36)(H,33,34)/t20?,21-,22+/m1/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human APC using S-2366 as substrate preincubated for 300 seconds followed by substrate addition measured after 40 mins by spectrophotom...


Bioorg Med Chem Lett 24: 821-7 (2014)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50124984
PNG
((R)-5-Guanidino-2-phenylmethanesulfonylamino-penta...)
Show SMILES NC(=N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1
Show InChI InChI=1S/C24H36N10O5S2/c25-23(26)30-10-4-8-17(20(36)22-29-12-13-40-22)33-19(35)14-32-21(37)18(9-5-11-31-24(27)28)34-41(38,39)15-16-6-2-1-3-7-16/h1-3,6-7,12-13,17-18,34H,4-5,8-11,14-15H2,(H,32,37)(H,33,35)(H4,25,26,30)(H4,27,28,31)/t17-,18-/m1/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against activated protein C (aPC)


Bioorg Med Chem Lett 13: 723-8 (2003)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50106057
PNG
(3-Carbamimidoyl-N-[(R)-phenyl-(2'-sulfamoyl-biphen...)
Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)Nc1ccc(cc1)-c1ccccc1S(N)(=O)=O)c1ccccc1
Show InChI InChI=1S/C28H25N5O4S/c29-26(30)20-9-6-10-21(17-20)27(34)33-25(19-7-2-1-3-8-19)28(35)32-22-15-13-18(14-16-22)23-11-4-5-12-24(23)38(31,36)37/h1-17,25H,(H3,29,30)(H,32,35)(H,33,34)(H2,31,36,37)/t25-/m1/s1
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n/an/a 6.56E+3n/an/an/an/an/an/a



COR Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against activated protein C (APC)


Bioorg Med Chem Lett 11: 2947-50 (2001)

More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50376422
PNG
(CHEMBL265687)
Show SMILES OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=Cc2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C22H15N3O6/c1-13-19(21(26)24(23-13)17-4-2-3-15(11-17)22(27)28)12-18-9-10-20(31-18)14-5-7-16(8-6-14)25(29)30/h2-12,23H,1H2,(H,27,28)
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n/an/a 6.71E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 5a C2 domain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50376421
PNG
(CHEMBL410426)
Show SMILES Cc1cc(-c2ccc(\C=C3\C(=O)NN(C3=O)c3cccc(Cl)c3)o2)c(cc1C)[N+]([O-])=O
Show InChI InChI=1S/C22H16ClN3O5/c1-12-8-17(19(26(29)30)9-13(12)2)20-7-6-16(31-20)11-18-21(27)24-25(22(18)28)15-5-3-4-14(23)10-15/h3-11H,1-2H3,(H,24,27)/b18-11-
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n/an/a 7.40E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 5a C2 domain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50376421
PNG
(CHEMBL410426)
Show SMILES Cc1cc(-c2ccc(\C=C3\C(=O)NN(C3=O)c3cccc(Cl)c3)o2)c(cc1C)[N+]([O-])=O
Show InChI InChI=1S/C22H16ClN3O5/c1-12-8-17(19(26(29)30)9-13(12)2)20-7-6-16(31-20)11-18-21(27)24-25(22(18)28)15-5-3-4-14(23)10-15/h3-11H,1-2H3,(H,24,27)/b18-11-
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n/an/a 8.55E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human factor 5a light chain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50376422
PNG
(CHEMBL265687)
Show SMILES OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=Cc2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C22H15N3O6/c1-13-19(21(26)24(23-13)17-4-2-3-15(11-17)22(27)28)12-18-9-10-20(31-18)14-5-7-16(8-6-14)25(29)30/h2-12,23H,1H2,(H,27,28)
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n/an/a 8.56E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of human factor 5a light chain binding to immobilized phospholipid by surface plasmon resonance assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair
Coagulation factor V


(Homo sapiens)
BDBM50376421
PNG
(CHEMBL410426)
Show SMILES Cc1cc(-c2ccc(\C=C3\C(=O)NN(C3=O)c3cccc(Cl)c3)o2)c(cc1C)[N+]([O-])=O
Show InChI InChI=1S/C22H16ClN3O5/c1-12-8-17(19(26(29)30)9-13(12)2)20-7-6-16(31-20)11-18-21(27)24-25(22(18)28)15-5-3-4-14(23)10-15/h3-11H,1-2H3,(H,24,27)/b18-11-
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n/an/a 8.95E+3n/an/an/an/an/an/a



Maastricht University

Curated by ChEMBL


Assay Description
Inhibition of factor 5a-mediated prothrombin activation in human plasma by prothrombinase assay


Proc Natl Acad Sci USA 104: 12697-702 (2007)

More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (human))
BDBM50193237
PNG
(CHEMBL379430 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES C[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C23H27N5O4/c1-14(26-13-19(29)30)21(31)28-23(10-17-4-2-3-5-18(17)11-23)22(32)27-12-15-6-8-16(9-7-15)20(24)25/h2-9,14,26H,10-13H2,1H3,(H3,24,25)(H,27,32)(H,28,31)(H,29,30)/t14-/m1/s1
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n/an/a 9.08E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human aPC


J Med Chem 49: 5047-50 (2006)

More data for this
Ligand-Target Pair
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