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PubMed code 16913694

Compile data set for download or QSAR
Found 46 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
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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 770n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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 1.25E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193244
PNG
(CHEMBL378083 | {1-[2-(4-carbamimidoyl-benzylcarbam...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)C2(CCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C26H31N5O4/c27-22(28)18-9-7-17(8-10-18)15-29-23(34)26(13-19-5-1-2-6-20(19)14-26)31-24(35)25(11-3-4-12-25)30-16-21(32)33/h1-2,5-10,30H,3-4,11-16H2,(H3,27,28)(H,29,34)(H,31,35)(H,32,33)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193239
PNG
(CHEMBL213774 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cc3ccccc3cc2C1)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)33-15-18-7-9-19(10-8-18)26(30)31)13-22-11-20-5-3-4-6-21(20)12-23(22)14-29/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 9.28E+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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193227
PNG
(CHEMBL214264 | {(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/C29H31N5O4/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/h1-13,24,32H,14-18H2,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t24-/m1/s1
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n/an/a 1.01E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193233
PNG
(CHEMBL424901 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES COc1cc2CC(Cc2cc1OC)(NC(=O)[C@H](NCC(O)=O)C(C)C)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H35N5O6/c1-15(2)23(30-14-22(33)34)25(35)32-27(11-18-9-20(37-3)21(38-4)10-19(18)12-27)26(36)31-13-16-5-7-17(8-6-16)24(28)29/h5-10,15,23,30H,11-14H2,1-4H3,(H3,28,29)(H,31,36)(H,32,35)(H,33,34)/t23-/m1/s1
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n/an/a 1.09E+4n/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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193227
PNG
(CHEMBL214264 | {(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/C29H31N5O4/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/h1-13,24,32H,14-18H2,(H3,30,31)(H,33,38)(H,34,37)(H,35,36)/t24-/m1/s1
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n/an/a 1.13E+4n/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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193225
PNG
(CHEMBL424882 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2-c2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C31H35N5O4/c1-19(2)27(34-18-26(37)38)29(39)36-31(30(40)35-17-20-11-13-21(14-12-20)28(32)33)15-22-7-3-5-9-24(22)25-10-6-4-8-23(25)16-31/h3-14,19,27,34H,15-18H2,1-2H3,(H3,32,33)(H,35,40)(H,36,39)(H,37,38)/t27-/m1/s1
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n/an/a 1.27E+4n/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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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 1.33E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193231
PNG
(({(S)-[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-/m0/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193223
PNG
(CHEMBL212786 | {(R)-1-[(S)-1-(4-carbamimidoyl-benz...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)N[C@@H](C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C30H35N5O4/c1-19(2)26(33-18-24(36)37)30(39)35-27(29(38)34-17-20-13-15-23(16-14-20)28(31)32)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,19,25-27,33H,17-18H2,1-2H3,(H3,31,32)(H,34,38)(H,35,39)(H,36,37)/t26-,27+/m1/s1
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n/an/a>3.30E+4n/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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193231
PNG
(({(S)-[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-/m0/s1
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n/an/a>3.30E+4n/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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193233
PNG
(CHEMBL424901 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES COc1cc2CC(Cc2cc1OC)(NC(=O)[C@H](NCC(O)=O)C(C)C)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C27H35N5O6/c1-15(2)23(30-14-22(33)34)25(35)32-27(11-18-9-20(37-3)21(38-4)10-19(18)12-27)26(36)31-13-16-5-7-17(8-6-16)24(28)29/h5-10,15,23,30H,11-14H2,1-4H3,(H3,28,29)(H,31,36)(H,32,35)(H,33,34)/t23-/m1/s1
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n/an/a>3.30E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193236
PNG
(({[2-(4-Carbamimidoyl-benzylcarbamoyl)-indan-2-ylc...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)CNCC(O)=O)cc1
Show InChI InChI=1S/C22H25N5O4/c23-20(24)15-7-5-14(6-8-15)11-26-21(31)22(27-18(28)12-25-13-19(29)30)9-16-3-1-2-4-17(16)10-22/h1-8,25H,9-13H2,(H3,23,24)(H,26,31)(H,27,28)(H,29,30)
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n/an/a>3.30E+4n/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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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>3.30E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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>3.30E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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 3.30E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193226
PNG
(CHEMBL215801 | {1-[2-(4-carbamimidoyl-benzylcarbam...)
Show SMILES CC(C)(NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H29N5O4/c1-23(2,28-14-19(30)31)21(32)29-24(11-17-5-3-4-6-18(17)12-24)22(33)27-13-15-7-9-16(10-8-15)20(25)26/h3-10,28H,11-14H2,1-2H3,(H3,25,26)(H,27,33)(H,29,32)(H,30,31)
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n/an/a 4.40E+4n/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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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 4.70E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Vitamin K-dependent protein C


(Homo sapiens (Human))
BDBM50193244
PNG
(CHEMBL378083 | {1-[2-(4-carbamimidoyl-benzylcarbam...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)C2(CCCC2)NCC(O)=O)cc1
Show InChI InChI=1S/C26H31N5O4/c27-22(28)18-9-7-17(8-10-18)15-29-23(34)26(13-19-5-1-2-6-20(19)14-26)31-24(35)25(11-3-4-12-25)30-16-21(32)33/h1-2,5-10,30H,3-4,11-16H2,(H3,27,28)(H,29,34)(H,31,35)(H,32,33)
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n/an/a 5.30E+4n/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)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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 8.50E+4n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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 1.00E+5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193236
PNG
(({[2-(4-Carbamimidoyl-benzylcarbamoyl)-indan-2-ylc...)
Show SMILES NC(=N)c1ccc(CNC(=O)C2(Cc3ccccc3C2)NC(=O)CNCC(O)=O)cc1
Show InChI InChI=1S/C22H25N5O4/c23-20(24)15-7-5-14(6-8-15)11-26-21(31)22(27-18(28)12-25-13-19(29)30)9-16-3-1-2-4-17(16)10-22/h1-8,25H,9-13H2,(H3,23,24)(H,26,31)(H,27,28)(H,29,30)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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>3.00E+5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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 3.00E+5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193226
PNG
(CHEMBL215801 | {1-[2-(4-carbamimidoyl-benzylcarbam...)
Show SMILES CC(C)(NCC(O)=O)C(=O)NC1(Cc2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C24H29N5O4/c1-23(2,28-14-19(30)31)21(32)29-24(11-17-5-3-4-6-18(17)12-24)22(33)27-13-15-7-9-16(10-8-15)20(25)26/h3-10,28H,11-14H2,1-2H3,(H3,25,26)(H,27,33)(H,29,32)(H,30,31)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193225
PNG
(CHEMBL424882 | {(R)-1-[6-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2ccccc2-c2ccccc2C1)C(=O)NCc1ccc(cc1)C(N)=N
Show InChI InChI=1S/C31H35N5O4/c1-19(2)27(34-18-26(37)38)29(39)36-31(30(40)35-17-20-11-13-21(14-12-20)28(32)33)15-22-7-3-5-9-24(22)25-10-6-4-8-23(25)16-31/h3-14,19,27,34H,15-18H2,1-2H3,(H3,32,33)(H,35,40)(H,36,39)(H,37,38)/t27-/m1/s1
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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 3.00E+5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50193239
PNG
(CHEMBL213774 | {(R)-1-[2-(4-carbamimidoyl-benzylca...)
Show SMILES CC(C)[C@@H](NCC(O)=O)C(=O)NC1(Cc2cc3ccccc3cc2C1)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)33-15-18-7-9-19(10-8-18)26(30)31)13-22-11-20-5-3-4-6-21(20)12-23(22)14-29/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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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(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 3.00E+5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of human thrombin activity


J Med Chem 49: 5047-50 (2006)


Article DOI: 10.1021/jm0606950
BindingDB Entry DOI: 10.7270/Q2H994VN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%