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PubMed code 15261287

Compile data set for download or QSAR
Found 44 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 X/antithrombin III


(Homo sapiens (human))
BDBM50409938
PNG
(CHEMBL2094062)
Show SMILES C[C@H](NC(=O)Cn1c(CN(C(=O)c2ccc(cc2)C(O)=O)c2ccc(OC3CCN(CC3)C(N)=N)cc2)nc2cc(ccc12)C(N)=N)c1ccccc1
Show InChI InChI=1S/C39H41N9O5/c1-24(25-5-3-2-4-6-25)44-35(49)23-48-33-16-11-28(36(40)41)21-32(33)45-34(48)22-47(37(50)26-7-9-27(10-8-26)38(51)52)29-12-14-30(15-13-29)53-31-17-19-46(20-18-31)39(42)43/h2-16,21,24,31H,17-20,22-23H2,1H3,(H3,40,41)(H3,42,43)(H,44,49)(H,51,52)/t24-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150502
PNG
(CHEMBL537184 | N-{5-Carbamimidoyl-1-[(3,4-dichloro...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NCc1ccc(Cl)c(Cl)c1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C39H38Cl2N8O5/c1-23(42)47-16-14-30(15-17-47)54-29-10-8-28(9-11-29)48(38(51)25-3-5-26(6-4-25)39(52)53)21-35-46-33-19-27(37(43)44)7-13-34(33)49(35)22-36(50)45-20-24-2-12-31(40)32(41)18-24/h2-13,18-19,30,42H,14-17,20-22H2,1H3,(H3,43,44)(H,45,50)(H,52,53)
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n/an/a 6n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150499
PNG
(CHEMBL536722 | N-(5-Carbamimidoyl-1-cyclohexylcarb...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NC1CCCCC1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C38H44N8O5/c1-24(39)44-19-17-31(18-20-44)51-30-14-12-29(13-15-30)45(37(48)25-7-9-26(10-8-25)38(49)50)22-34-43-32-21-27(36(40)41)11-16-33(32)46(34)23-35(47)42-28-5-3-2-4-6-28/h7-16,21,28,31,39H,2-6,17-20,22-23H2,1H3,(H3,40,41)(H,42,47)(H,49,50)
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n/an/a 10n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150496
PNG
(CHEMBL536490 | N-(5-Carbamimidoyl-1-cyclohexylcarb...)
Show SMILES NC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NC1CCCCC1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C37H43N9O5/c38-34(39)25-10-15-31-30(20-25)43-32(46(31)22-33(47)42-26-4-2-1-3-5-26)21-45(35(48)23-6-8-24(9-7-23)36(49)50)27-11-13-28(14-12-27)51-29-16-18-44(19-17-29)37(40)41/h6-15,20,26,29H,1-5,16-19,21-22H2,(H3,38,39)(H3,40,41)(H,42,47)(H,49,50)
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n/an/a 20n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150488
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NCc2ccc(Cl)c(Cl)c2)C(N)=N)cc1
Show InChI InChI=1S/C31H33Cl2N7O3/c1-19(34)39-12-10-24(11-13-39)43-23-6-4-22(5-7-23)42-18-29-38-27-15-21(31(35)36)3-9-28(27)40(29)17-30(41)37-16-20-2-8-25(32)26(33)14-20/h2-9,14-15,24,34H,10-13,16-18H2,1H3,(H3,35,36)(H,37,41)
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n/an/a 30n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150492
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(NC(=O)Cn1c(COc2ccc(OC3CCN(CC3)C(C)=N)cc2)nc2cc(ccc12)C(N)=N)c1ccccc1
Show InChI InChI=1S/C32H37N7O3/c1-21(23-6-4-3-5-7-23)36-31(40)19-39-29-13-8-24(32(34)35)18-28(29)37-30(39)20-41-25-9-11-26(12-10-25)42-27-14-16-38(17-15-27)22(2)33/h3-13,18,21,27,33H,14-17,19-20H2,1-2H3,(H3,34,35)(H,36,40)
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n/an/a 30n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150495
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NC2CCCCC2)C(N)=N)cc1
Show InChI InChI=1S/C30H39N7O3/c1-20(31)36-15-13-25(14-16-36)40-24-10-8-23(9-11-24)39-19-28-35-26-17-21(30(32)33)7-12-27(26)37(28)18-29(38)34-22-5-3-2-4-6-22/h7-12,17,22,25,31H,2-6,13-16,18-19H2,1H3,(H3,32,33)(H,34,38)
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n/an/a 40n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041218
PNG
(3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24?/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150494
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)Nc2ccc(Cl)c(Cl)c2)C(N)=N)cc1
Show InChI InChI=1S/C30H31Cl2N7O3/c1-18(33)38-12-10-23(11-13-38)42-22-6-4-21(5-7-22)41-17-28-37-26-14-19(30(34)35)2-9-27(26)39(28)16-29(40)36-20-3-8-24(31)25(32)15-20/h2-9,14-15,23,33H,10-13,16-17H2,1H3,(H3,34,35)(H,36,40)
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n/an/a 60n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50409939
PNG
(CHEMBL2093954)
Show SMILES C[C@@H](NC(=O)Cn1c(CN(C(=O)c2ccc(cc2)C(O)=O)c2ccc(OC3CCN(CC3)C(N)=N)cc2)nc2cc(ccc12)C(N)=N)c1ccccc1
Show InChI InChI=1S/C39H41N9O5/c1-24(25-5-3-2-4-6-25)44-35(49)23-48-33-16-11-28(36(40)41)21-32(33)45-34(48)22-47(37(50)26-7-9-27(10-8-26)38(51)52)29-12-14-30(15-13-29)53-31-17-19-46(20-18-31)39(42)43/h2-16,21,24,31H,17-20,22-23H2,1H3,(H3,40,41)(H3,42,43)(H,44,49)(H,51,52)/t24-/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150489
PNG
(CHEMBL541372 | N-{4-[1-(N-Benzyl-carbamimidoyl)-pi...)
Show SMILES NC(=N)c1ccc2n(CC(=O)NC3CCCCC3)c(CN(C(=O)c3ccc(cc3)C(O)=O)c3ccc(OC4CCN(CC4)C(N)=NCc4ccccc4)cc3)nc2c1
Show InChI InChI=1S/C44H49N9O5/c45-41(46)32-15-20-38-37(25-32)50-39(53(38)28-40(54)49-33-9-5-2-6-10-33)27-52(42(55)30-11-13-31(14-12-30)43(56)57)34-16-18-35(19-17-34)58-36-21-23-51(24-22-36)44(47)48-26-29-7-3-1-4-8-29/h1,3-4,7-8,11-20,25,33,36H,2,5-6,9-10,21-24,26-28H2,(H3,45,46)(H2,47,48)(H,49,54)(H,56,57)
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n/an/a 80n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150497
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)Nc2ccccc2)C(N)=N)cc1
Show InChI InChI=1S/C30H33N7O3/c1-20(31)36-15-13-25(14-16-36)40-24-10-8-23(9-11-24)39-19-28-35-26-17-21(30(32)33)7-12-27(26)37(28)18-29(38)34-22-5-3-2-4-6-22/h2-12,17,25,31H,13-16,18-19H2,1H3,(H3,32,33)(H,34,38)
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n/an/a 100n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150493
PNG
(CHEMBL553328 | N-(5-Carbamimidoyl-1-cyclohexylcarb...)
Show SMILES CC(=N)N1CCC(C1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NC1CCCCC1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C37H42N8O5/c1-23(38)43-18-17-30(20-43)50-29-14-12-28(13-15-29)44(36(47)24-7-9-25(10-8-24)37(48)49)21-33-42-31-19-26(35(39)40)11-16-32(31)45(33)22-34(46)41-27-5-3-2-4-6-27/h7-16,19,27,30,38H,2-6,17-18,20-22H2,1H3,(H3,39,40)(H,41,46)(H,48,49)
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n/an/a 100n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150506
PNG
(CHEMBL556972 | N-Benzyl-2-(5-carbamimidoyl-2-{4-[1...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NCc2ccccc2)C(N)=N)cc1
Show InChI InChI=1S/C31H35N7O3/c1-21(32)37-15-13-26(14-16-37)41-25-10-8-24(9-11-25)40-20-29-36-27-17-23(31(33)34)7-12-28(27)38(29)19-30(39)35-18-22-5-3-2-4-6-22/h2-12,17,26,32H,13-16,18-20H2,1H3,(H3,33,34)(H,35,39)
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n/an/a 100n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150504
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NCCCc2ccccc2)C(N)=N)cc1
Show InChI InChI=1S/C33H39N7O3/c1-23(34)39-18-15-28(16-19-39)43-27-12-10-26(11-13-27)42-22-31-38-29-20-25(33(35)36)9-14-30(29)40(31)21-32(41)37-17-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-14,20,28,34H,5,8,15-19,21-22H2,1H3,(H3,35,36)(H,37,41)
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n/an/a 200n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150500
PNG
(CHEMBL536488 | N-{5-Carbamimidoyl-1-[(1-methyl-1-p...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NC(C)(C)c1ccccc1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C41H44N8O5/c1-26(42)47-21-19-33(20-22-47)54-32-16-14-31(15-17-32)48(39(51)27-9-11-28(12-10-27)40(52)53)24-36-45-34-23-29(38(43)44)13-18-35(34)49(36)25-37(50)46-41(2,3)30-7-5-4-6-8-30/h4-18,23,33,42H,19-22,24-25H2,1-3H3,(H3,43,44)(H,46,50)(H,52,53)
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n/an/a 200n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150486
PNG
(CHEMBL538077 | N-{5-Carbamimidoyl-1-[(3,4-dichloro...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C38H36Cl2N8O5/c1-22(41)46-16-14-29(15-17-46)53-28-10-8-27(9-11-28)47(37(50)23-2-4-24(5-3-23)38(51)52)20-34-45-32-18-25(36(42)43)6-13-33(32)48(34)21-35(49)44-26-7-12-30(39)31(40)19-26/h2-13,18-19,29,41H,14-17,20-21H2,1H3,(H3,42,43)(H,44,49)(H,51,52)
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n/an/a 200n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150491
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NCC2CCCCC2)C(N)=N)cc1
Show InChI InChI=1S/C31H41N7O3/c1-21(32)37-15-13-26(14-16-37)41-25-10-8-24(9-11-25)40-20-29-36-27-17-23(31(33)34)7-12-28(27)38(29)19-30(39)35-18-22-5-3-2-4-6-22/h7-12,17,22,26,32H,2-6,13-16,18-20H2,1H3,(H3,33,34)(H,35,39)
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n/an/a 300n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150505
PNG
(CHEMBL540869 | N-(5-Carbamimidoyl-1-cyclohexylcarb...)
Show SMILES NC(=N)c1ccc2n(CC(=O)NC3CCCCC3)c(CN(C(=O)c3ccc(cc3)C(O)=O)c3ccc(OC4CCNC4)cc3)nc2c1
Show InChI InChI=1S/C35H39N7O5/c36-33(37)24-10-15-30-29(18-24)40-31(42(30)21-32(43)39-25-4-2-1-3-5-25)20-41(34(44)22-6-8-23(9-7-22)35(45)46)26-11-13-27(14-12-26)47-28-16-17-38-19-28/h6-15,18,25,28,38H,1-5,16-17,19-21H2,(H3,36,37)(H,39,43)(H,45,46)
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n/an/a 300n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150490
PNG
(1-Ethyl-2-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)
Show SMILES CCn1c(COc2ccc(OC3CCN(CC3)C(C)=N)cc2)nc2cc(ccc12)C(N)=N
Show InChI InChI=1S/C24H30N6O2/c1-3-30-22-9-4-17(24(26)27)14-21(22)28-23(30)15-31-18-5-7-19(8-6-18)32-20-10-12-29(13-11-20)16(2)25/h4-9,14,20,25H,3,10-13,15H2,1-2H3,(H3,26,27)
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n/an/a 400n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041216
PNG
(2-(2-{4-[(S)-1-(1-Imino-ethyl)-pyrrolidin-3-yloxy]...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(CCc2cc3cc(ccc3o2)C(N)=N)cc1
Show InChI InChI=1S/C23H26N4O2/c1-15(24)27-11-10-21(14-27)28-19-6-2-16(3-7-19)4-8-20-13-18-12-17(23(25)26)5-9-22(18)29-20/h2-3,5-7,9,12-13,21,24H,4,8,10-11,14H2,1H3,(H3,25,26)/t21-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150485
PNG
(CHEMBL556971 | N-(5-Carbamimidoyl-1-cyclohexylcarb...)
Show SMILES NC(=N)c1ccc(Oc2ccc(cc2)N(Cc2nc3cc(ccc3n2CC(=O)NC2CCCCC2)C(N)=N)C(=O)c2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C38H38N8O5/c39-35(40)23-10-15-29(16-11-23)51-30-17-13-28(14-18-30)45(37(48)24-6-8-25(9-7-24)38(49)50)21-33-44-31-20-26(36(41)42)12-19-32(31)46(33)22-34(47)43-27-4-2-1-3-5-27/h6-20,27H,1-5,21-22H2,(H3,39,40)(H3,41,42)(H,43,47)(H,49,50)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50150501
PNG
(2-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phenoxy...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)N2CCCCC2)C(N)=N)cc1
Show InChI InChI=1S/C29H37N7O3/c1-20(30)34-15-11-24(12-16-34)39-23-8-6-22(7-9-23)38-19-27-33-25-17-21(29(31)32)5-10-26(25)36(27)18-28(37)35-13-3-2-4-14-35/h5-10,17,24,30H,2-4,11-16,18-19H2,1H3,(H3,31,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human Coagulation factor X


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150495
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NC2CCCCC2)C(N)=N)cc1
Show InChI InChI=1S/C30H39N7O3/c1-20(31)36-15-13-25(14-16-36)40-24-10-8-23(9-11-24)39-19-28-35-26-17-21(30(32)33)7-12-27(26)37(28)18-29(38)34-22-5-3-2-4-6-22/h7-12,17,22,25,31H,2-6,13-16,18-19H2,1H3,(H3,32,33)(H,34,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150505
PNG
(CHEMBL540869 | N-(5-Carbamimidoyl-1-cyclohexylcarb...)
Show SMILES NC(=N)c1ccc2n(CC(=O)NC3CCCCC3)c(CN(C(=O)c3ccc(cc3)C(O)=O)c3ccc(OC4CCNC4)cc3)nc2c1
Show InChI InChI=1S/C35H39N7O5/c36-33(37)24-10-15-30-29(18-24)40-31(42(30)21-32(43)39-25-4-2-1-3-5-25)20-41(34(44)22-6-8-23(9-7-22)35(45)46)26-11-13-27(14-12-26)47-28-16-17-38-19-28/h6-15,18,25,28,38H,1-5,16-17,19-21H2,(H3,36,37)(H,39,43)(H,45,46)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150494
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)Nc2ccc(Cl)c(Cl)c2)C(N)=N)cc1
Show InChI InChI=1S/C30H31Cl2N7O3/c1-18(33)38-12-10-23(11-13-38)42-22-6-4-21(5-7-22)41-17-28-37-26-14-19(30(34)35)2-9-27(26)39(28)16-29(40)36-20-3-8-24(31)25(32)15-20/h2-9,14-15,23,33H,10-13,16-17H2,1H3,(H3,34,35)(H,36,40)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041218
PNG
(3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32)/t23-,24?/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150500
PNG
(CHEMBL536488 | N-{5-Carbamimidoyl-1-[(1-methyl-1-p...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NC(C)(C)c1ccccc1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C41H44N8O5/c1-26(42)47-21-19-33(20-22-47)54-32-16-14-31(15-17-32)48(39(51)27-9-11-28(12-10-27)40(52)53)24-36-45-34-23-29(38(43)44)13-18-35(34)49(36)25-37(50)46-41(2,3)30-7-5-4-6-8-30/h4-18,23,33,42H,19-22,24-25H2,1-3H3,(H3,43,44)(H,46,50)(H,52,53)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150501
PNG
(2-{4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phenoxy...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)N2CCCCC2)C(N)=N)cc1
Show InChI InChI=1S/C29H37N7O3/c1-20(30)34-15-11-24(12-16-34)39-23-8-6-22(7-9-23)38-19-27-33-25-17-21(29(31)32)5-10-26(25)36(27)18-28(37)35-13-3-2-4-14-35/h5-10,17,24,30H,2-4,11-16,18-19H2,1H3,(H3,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150493
PNG
(CHEMBL553328 | N-(5-Carbamimidoyl-1-cyclohexylcarb...)
Show SMILES CC(=N)N1CCC(C1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NC1CCCCC1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C37H42N8O5/c1-23(38)43-18-17-30(20-43)50-29-14-12-28(13-15-29)44(36(47)24-7-9-25(10-8-24)37(48)49)21-33-42-31-19-26(35(39)40)11-16-32(31)45(33)22-34(46)41-27-5-3-2-4-6-27/h7-16,19,27,30,38H,2-6,17-18,20-22H2,1H3,(H3,39,40)(H,41,46)(H,48,49)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150504
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NCCCc2ccccc2)C(N)=N)cc1
Show InChI InChI=1S/C33H39N7O3/c1-23(34)39-18-15-28(16-19-39)43-27-12-10-26(11-13-27)42-22-31-38-29-20-25(33(35)36)9-14-30(29)40(31)21-32(41)37-17-5-8-24-6-3-2-4-7-24/h2-4,6-7,9-14,20,28,34H,5,8,15-19,21-22H2,1H3,(H3,35,36)(H,37,41)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150486
PNG
(CHEMBL538077 | N-{5-Carbamimidoyl-1-[(3,4-dichloro...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C38H36Cl2N8O5/c1-22(41)46-16-14-29(15-17-46)53-28-10-8-27(9-11-28)47(37(50)23-2-4-24(5-3-23)38(51)52)20-34-45-32-18-25(36(42)43)6-13-33(32)48(34)21-35(49)44-26-7-12-30(39)31(40)19-26/h2-13,18-19,29,41H,14-17,20-21H2,1H3,(H3,42,43)(H,44,49)(H,51,52)
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Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150499
PNG
(CHEMBL536722 | N-(5-Carbamimidoyl-1-cyclohexylcarb...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NC1CCCCC1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C38H44N8O5/c1-24(39)44-19-17-31(18-20-44)51-30-14-12-29(13-15-30)45(37(48)25-7-9-26(10-8-25)38(49)50)22-34-43-32-21-27(36(40)41)11-16-33(32)46(34)23-35(47)42-28-5-3-2-4-6-28/h7-16,21,28,31,39H,2-6,17-20,22-23H2,1H3,(H3,40,41)(H,42,47)(H,49,50)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150485
PNG
(CHEMBL556971 | N-(5-Carbamimidoyl-1-cyclohexylcarb...)
Show SMILES NC(=N)c1ccc(Oc2ccc(cc2)N(Cc2nc3cc(ccc3n2CC(=O)NC2CCCCC2)C(N)=N)C(=O)c2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C38H38N8O5/c39-35(40)23-10-15-29(16-11-23)51-30-17-13-28(14-18-30)45(37(48)24-6-8-25(9-7-24)38(49)50)21-33-44-31-20-26(36(41)42)12-19-32(31)46(33)22-34(47)43-27-4-2-1-3-5-27/h6-20,27H,1-5,21-22H2,(H3,39,40)(H3,41,42)(H,43,47)(H,49,50)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150489
PNG
(CHEMBL541372 | N-{4-[1-(N-Benzyl-carbamimidoyl)-pi...)
Show SMILES NC(=N)c1ccc2n(CC(=O)NC3CCCCC3)c(CN(C(=O)c3ccc(cc3)C(O)=O)c3ccc(OC4CCN(CC4)C(N)=NCc4ccccc4)cc3)nc2c1
Show InChI InChI=1S/C44H49N9O5/c45-41(46)32-15-20-38-37(25-32)50-39(53(38)28-40(54)49-33-9-5-2-6-10-33)27-52(42(55)30-11-13-31(14-12-30)43(56)57)34-16-18-35(19-17-34)58-36-21-23-51(24-22-36)44(47)48-26-29-7-3-1-4-8-29/h1,3-4,7-8,11-20,25,33,36H,2,5-6,9-10,21-24,26-28H2,(H3,45,46)(H2,47,48)(H,49,54)(H,56,57)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150502
PNG
(CHEMBL537184 | N-{5-Carbamimidoyl-1-[(3,4-dichloro...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NCc1ccc(Cl)c(Cl)c1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C39H38Cl2N8O5/c1-23(42)47-16-14-30(15-17-47)54-29-10-8-28(9-11-29)48(38(51)25-3-5-26(6-4-25)39(52)53)21-35-46-33-19-27(37(43)44)7-13-34(33)49(35)22-36(50)45-20-24-2-12-31(40)32(41)18-24/h2-13,18-19,30,42H,14-17,20-22H2,1H3,(H3,43,44)(H,45,50)(H,52,53)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150488
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NCc2ccc(Cl)c(Cl)c2)C(N)=N)cc1
Show InChI InChI=1S/C31H33Cl2N7O3/c1-19(34)39-12-10-24(11-13-39)43-23-6-4-22(5-7-23)42-18-29-38-27-15-21(31(35)36)3-9-28(27)40(29)17-30(41)37-16-20-2-8-25(32)26(33)14-20/h2-9,14-15,24,34H,10-13,16-18H2,1H3,(H3,35,36)(H,37,41)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150497
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)Nc2ccccc2)C(N)=N)cc1
Show InChI InChI=1S/C30H33N7O3/c1-20(31)36-15-13-25(14-16-36)40-24-10-8-23(9-11-24)39-19-28-35-26-17-21(30(32)33)7-12-27(26)37(28)18-29(38)34-22-5-3-2-4-6-22/h2-12,17,25,31H,13-16,18-19H2,1H3,(H3,32,33)(H,34,38)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041216
PNG
(2-(2-{4-[(S)-1-(1-Imino-ethyl)-pyrrolidin-3-yloxy]...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(CCc2cc3cc(ccc3o2)C(N)=N)cc1
Show InChI InChI=1S/C23H26N4O2/c1-15(24)27-11-10-21(14-27)28-19-6-2-16(3-7-19)4-8-20-13-18-12-17(23(25)26)5-9-22(18)29-20/h2-3,5-7,9,12-13,21,24H,4,8,10-11,14H2,1H3,(H3,25,26)/t21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150496
PNG
(CHEMBL536490 | N-(5-Carbamimidoyl-1-cyclohexylcarb...)
Show SMILES NC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1nc2cc(ccc2n1CC(=O)NC1CCCCC1)C(N)=N)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C37H43N9O5/c38-34(39)25-10-15-31-30(20-25)43-32(46(31)22-33(47)42-26-4-2-1-3-5-26)21-45(35(48)23-6-8-24(9-7-23)36(49)50)27-11-13-28(14-12-27)51-29-16-18-44(19-17-29)37(40)41/h6-15,20,26,29H,1-5,16-19,21-22H2,(H3,38,39)(H3,40,41)(H,42,47)(H,49,50)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150492
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(NC(=O)Cn1c(COc2ccc(OC3CCN(CC3)C(C)=N)cc2)nc2cc(ccc12)C(N)=N)c1ccccc1
Show InChI InChI=1S/C32H37N7O3/c1-21(23-6-4-3-5-7-23)36-31(40)19-39-29-13-8-24(32(34)35)18-28(29)37-30(39)20-41-25-9-11-26(12-10-25)42-27-14-16-38(17-15-27)22(2)33/h3-13,18,21,27,33H,14-17,19-20H2,1-2H3,(H3,34,35)(H,36,40)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150506
PNG
(CHEMBL556972 | N-Benzyl-2-(5-carbamimidoyl-2-{4-[1...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NCc2ccccc2)C(N)=N)cc1
Show InChI InChI=1S/C31H35N7O3/c1-21(32)37-15-13-26(14-16-37)41-25-10-8-24(9-11-25)40-20-29-36-27-17-23(31(33)34)7-12-28(27)38(29)19-30(39)35-18-22-5-3-2-4-6-22/h2-12,17,26,32H,13-16,18-20H2,1H3,(H3,33,34)(H,35,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150490
PNG
(1-Ethyl-2-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]...)
Show SMILES CCn1c(COc2ccc(OC3CCN(CC3)C(C)=N)cc2)nc2cc(ccc12)C(N)=N
Show InChI InChI=1S/C24H30N6O2/c1-3-30-22-9-4-17(24(26)27)14-21(22)28-23(30)15-31-18-5-7-19(8-6-18)32-20-10-12-29(13-11-20)16(2)25/h4-9,14,20,25H,3,10-13,15H2,1-2H3,(H3,26,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50150491
PNG
(2-(5-Carbamimidoyl-2-{4-[1-(1-imino-ethyl)-piperid...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(OCc2nc3cc(ccc3n2CC(=O)NCC2CCCCC2)C(N)=N)cc1
Show InChI InChI=1S/C31H41N7O3/c1-21(32)37-15-13-26(14-16-37)41-25-10-8-24(9-11-25)40-20-29-36-27-17-23(31(33)34)7-12-28(27)38(29)19-30(39)35-18-22-5-3-2-4-6-22/h7-12,17,22,26,32H,2-6,13-16,18-20H2,1H3,(H3,33,34)(H,35,39)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Central Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against Coagulation factor II


Bioorg Med Chem Lett 14: 4281-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.092
BindingDB Entry DOI: 10.7270/Q22808C7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%