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Compile Data Set for Download or QSAR

Found 38 hits from Daiichi Pharmaceutical Company, Ltd.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM17283
PNG
((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](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 70n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041220
PNG
(1,2-bis(5-amidinobenzofuran-2-yl)ethane | 2-(2-{5-...)
Show SMILES NC(=N)c1ccc2oc(CCc3cc4cc(ccc4o3)C(N)=N)cc2c1
Show InChI InChI=1S/C20H18N4O2/c21-19(22)11-1-5-17-13(7-11)9-15(25-17)3-4-16-10-14-8-12(20(23)24)2-6-18(14)26-16/h1-2,5-10H,3-4H2,(H3,21,22)(H3,23,24)
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n/an/a 100n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
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 160n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041221
PNG
(3-(7-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...)
Show SMILES NC(=N)c1ccc2ccc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2c1
Show InChI InChI=1S/C24H25N3O3/c25-23(26)18-4-3-16-2-1-15(11-19(16)13-18)12-22(24(28)29)17-5-7-20(8-6-17)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041231
PNG
(3-(7-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...)
Show SMILES CCOC(=O)C(Cc1ccc2ccc(cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1
Show InChI InChI=1S/C26H29N3O3/c1-2-31-26(30)24(19-7-9-22(10-8-19)32-23-11-12-29-16-23)14-17-3-4-18-5-6-20(25(27)28)15-21(18)13-17/h3-10,13,15,23-24,29H,2,11-12,14,16H2,1H3,(H3,27,28)/t23-,24?/m0/s1
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n/an/a 310n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041219
PNG
(3-(6-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1ccc2cc(ccc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-18(7-9-22)24(26(31)32)13-17-2-3-20-14-21(25(28)29)5-4-19(20)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 360n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041224
PNG
((R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](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 500n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041217
PNG
(3-(5-Carbamimidoyl-benzofuran-2-yl)-2-{4-[(S)-1-(1...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1cc2cc(ccc2o1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H26N4O4/c1-14(25)28-9-8-19(13-28)31-18-5-2-15(3-6-18)21(24(29)30)12-20-11-17-10-16(23(26)27)4-7-22(17)32-20/h2-7,10-11,19,21,25H,8-9,12-13H2,1H3,(H3,26,27)(H,29,30)/t19-,21?/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
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 640n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041223
PNG
(3-(6-Carbamimidoyl-benzofuran-2-yl)-2-{4-[(S)-1-(1...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1cc2ccc(cc2o1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H26N4O4/c1-14(25)28-9-8-19(13-28)31-18-6-4-15(5-7-18)21(24(29)30)12-20-10-16-2-3-17(23(26)27)11-22(16)32-20/h2-7,10-11,19,21,25H,8-9,12-13H2,1H3,(H3,26,27)(H,29,30)/t19-,21?/m0/s1
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n/an/a 840n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041215
PNG
(2-{2-[4-((S)-Pyrrolidin-3-yloxy)-phenyl]-ethyl}-be...)
Show SMILES NC(=N)c1ccc2oc(CCc3ccc(O[C@H]4CCNC4)cc3)cc2c1
Show InChI InChI=1S/C21H23N3O2/c22-21(23)15-4-8-20-16(11-15)12-18(26-20)7-3-14-1-5-17(6-2-14)25-19-9-10-24-13-19/h1-2,4-6,8,11-12,19,24H,3,7,9-10,13H2,(H3,22,23)/t19-/m0/s1
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n/an/a 940n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041222
PNG
(3-(5-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...)
Show SMILES CCOC(=O)C(Cc1cc2cc(ccc2o1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1
Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)21(15-3-6-18(7-4-15)30-19-9-10-27-14-19)13-20-12-17-11-16(23(25)26)5-8-22(17)31-20/h3-8,11-12,19,21,27H,2,9-10,13-14H2,1H3,(H3,25,26)/t19-,21?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041226
PNG
(3-(5-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...)
Show SMILES NC(=N)c1ccc2oc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2c1
Show InChI InChI=1S/C22H23N3O4/c23-21(24)14-3-6-20-15(9-14)10-18(29-20)11-19(22(26)27)13-1-4-16(5-2-13)28-17-7-8-25-12-17/h1-6,9-10,17,19,25H,7-8,11-12H2,(H3,23,24)(H,26,27)/t17-,19?/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041227
PNG
(3-(6-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...)
Show SMILES NC(=N)c1ccc2cc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)oc2c1
Show InChI InChI=1S/C22H23N3O4/c23-21(24)15-2-1-14-9-18(29-20(14)10-15)11-19(22(26)27)13-3-5-16(6-4-13)28-17-7-8-25-12-17/h1-6,9-10,17,19,25H,7-8,11-12H2,(H3,23,24)(H,26,27)/t17-,19?/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041214
PNG
(3-(6-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...)
Show SMILES CCOC(=O)C(Cc1cc2ccc(cc2o1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1
Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)21(15-5-7-18(8-6-15)30-19-9-10-27-14-19)13-20-11-16-3-4-17(23(25)26)12-22(16)31-20/h3-8,11-12,19,21,27H,2,9-10,13-14H2,1H3,(H3,25,26)/t19-,21?/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
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 4.00E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041225
PNG
(3-(6-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...)
Show SMILES NC(=N)c1ccc2cc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)ccc2c1
Show InChI InChI=1S/C24H25N3O3/c25-23(26)19-4-3-17-11-15(1-2-18(17)13-19)12-22(24(28)29)16-5-7-20(8-6-16)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041228
PNG
(3-(6-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...)
Show SMILES CCOC(=O)C(Cc1ccc2cc(ccc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1
Show InChI InChI=1S/C26H29N3O3/c1-2-31-26(30)24(18-7-9-22(10-8-18)32-23-11-12-29-16-23)14-17-3-4-20-15-21(25(27)28)6-5-19(20)13-17/h3-10,13,15,23-24,29H,2,11-12,14,16H2,1H3,(H3,27,28)/t23-,24?/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041220
PNG
(1,2-bis(5-amidinobenzofuran-2-yl)ethane | 2-(2-{5-...)
Show SMILES NC(=N)c1ccc2oc(CCc3cc4cc(ccc4o3)C(N)=N)cc2c1
Show InChI InChI=1S/C20H18N4O2/c21-19(22)11-1-5-17-13(7-11)9-15(25-17)3-4-16-10-14-8-12(20(23)24)2-6-18(14)26-16/h1-2,5-10H,3-4H2,(H3,21,22)(H3,23,24)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041229
PNG
(2-(5-Carbamimidoyl-benzofuran-2-yl)-3-[4-((S)-pyrr...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(Cc1ccc(O[C@H]2CCNC2)cc1)C(O)=O
Show InChI InChI=1S/C22H23N3O4/c23-21(24)14-3-6-19-15(10-14)11-20(29-19)18(22(26)27)9-13-1-4-16(5-2-13)28-17-7-8-25-12-17/h1-6,10-11,17-18,25H,7-9,12H2,(H3,23,24)(H,26,27)/t17-,18?/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041217
PNG
(3-(5-Carbamimidoyl-benzofuran-2-yl)-2-{4-[(S)-1-(1...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1cc2cc(ccc2o1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H26N4O4/c1-14(25)28-9-8-19(13-28)31-18-5-2-15(3-6-18)21(24(29)30)12-20-11-17-10-16(23(26)27)4-7-22(17)32-20/h2-7,10-11,19,21,25H,8-9,12-13H2,1H3,(H3,26,27)(H,29,30)/t19-,21?/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041230
PNG
(2-(5-Carbamimidoyl-benzofuran-2-yl)-3-[4-((S)-pyrr...)
Show SMILES CCOC(=O)C(Cc1ccc(O[C@H]2CCNC2)cc1)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)20(22-13-17-12-16(23(25)26)5-8-21(17)31-22)11-15-3-6-18(7-4-15)30-19-9-10-27-14-19/h3-8,12-13,19-20,27H,2,9-11,14H2,1H3,(H3,25,26)/t19-,20?/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041222
PNG
(3-(5-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...)
Show SMILES CCOC(=O)C(Cc1cc2cc(ccc2o1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1
Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)21(15-3-6-18(7-4-15)30-19-9-10-27-14-19)13-20-12-17-11-16(23(25)26)5-8-22(17)31-20/h3-8,11-12,19,21,27H,2,9-10,13-14H2,1H3,(H3,25,26)/t19-,21?/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041219
PNG
(3-(6-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1ccc2cc(ccc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C26H28N4O3/c1-16(27)30-11-10-23(15-30)33-22-8-6-18(7-9-22)24(26(31)32)13-17-2-3-20-14-21(25(28)29)5-4-19(20)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 2.20E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041214
PNG
(3-(6-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...)
Show SMILES CCOC(=O)C(Cc1cc2ccc(cc2o1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1
Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)21(15-5-7-18(8-6-15)30-19-9-10-27-14-19)13-20-11-16-3-4-17(23(25)26)12-22(16)31-20/h3-8,11-12,19,21,27H,2,9-10,13-14H2,1H3,(H3,25,26)/t19-,21?/m0/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041228
PNG
(3-(6-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...)
Show SMILES CCOC(=O)C(Cc1ccc2cc(ccc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1
Show InChI InChI=1S/C26H29N3O3/c1-2-31-26(30)24(18-7-9-22(10-8-18)32-23-11-12-29-16-23)14-17-3-4-20-15-21(25(27)28)6-5-19(20)13-17/h3-10,13,15,23-24,29H,2,11-12,14,16H2,1H3,(H3,27,28)/t23-,24?/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041229
PNG
(2-(5-Carbamimidoyl-benzofuran-2-yl)-3-[4-((S)-pyrr...)
Show SMILES NC(=N)c1ccc2oc(cc2c1)C(Cc1ccc(O[C@H]2CCNC2)cc1)C(O)=O
Show InChI InChI=1S/C22H23N3O4/c23-21(24)14-3-6-19-15(10-14)11-20(29-19)18(22(26)27)9-13-1-4-16(5-2-13)28-17-7-8-25-12-17/h1-6,10-11,17-18,25H,7-9,12H2,(H3,23,24)(H,26,27)/t17-,18?/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Coagulation factor X/antithrombin III


(Homo sapiens (human))
BDBM50041230
PNG
(2-(5-Carbamimidoyl-benzofuran-2-yl)-3-[4-((S)-pyrr...)
Show SMILES CCOC(=O)C(Cc1ccc(O[C@H]2CCNC2)cc1)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)20(22-13-17-12-16(23(25)26)5-8-21(17)31-22)11-15-3-6-18(7-4-15)30-19-9-10-27-14-19/h3-8,12-13,19-20,27H,2,9-11,14H2,1H3,(H3,25,26)/t19-,20?/m0/s1
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n/an/a 5.20E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting factor Xa by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041225
PNG
(3-(6-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...)
Show SMILES NC(=N)c1ccc2cc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)ccc2c1
Show InChI InChI=1S/C24H25N3O3/c25-23(26)19-4-3-17-11-15(1-2-18(17)13-19)12-22(24(28)29)16-5-7-20(8-6-16)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041215
PNG
(2-{2-[4-((S)-Pyrrolidin-3-yloxy)-phenyl]-ethyl}-be...)
Show SMILES NC(=N)c1ccc2oc(CCc3ccc(O[C@H]4CCNC4)cc3)cc2c1
Show InChI InChI=1S/C21H23N3O2/c22-21(23)15-4-8-20-16(11-15)12-18(26-20)7-3-14-1-5-17(6-2-14)25-19-9-10-24-13-19/h1-2,4-6,8,11-12,19,24H,3,7,9-10,13H2,(H3,22,23)/t19-/m0/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041226
PNG
(3-(5-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...)
Show SMILES NC(=N)c1ccc2oc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2c1
Show InChI InChI=1S/C22H23N3O4/c23-21(24)14-3-6-20-15(9-14)10-18(29-20)11-19(22(26)27)13-1-4-16(5-2-13)28-17-7-8-25-12-17/h1-6,9-10,17,19,25H,7-8,11-12H2,(H3,23,24)(H,26,27)/t17-,19?/m0/s1
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n/an/a 2.30E+5n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041223
PNG
(3-(6-Carbamimidoyl-benzofuran-2-yl)-2-{4-[(S)-1-(1...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1cc2ccc(cc2o1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H26N4O4/c1-14(25)28-9-8-19(13-28)31-18-6-4-15(5-7-18)21(24(29)30)12-20-10-16-2-3-17(23(26)27)11-22(16)32-20/h2-7,10-11,19,21,25H,8-9,12-13H2,1H3,(H3,26,27)(H,29,30)/t19-,21?/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041231
PNG
(3-(7-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...)
Show SMILES CCOC(=O)C(Cc1ccc2ccc(cc2c1)C(N)=N)c1ccc(O[C@H]2CCNC2)cc1
Show InChI InChI=1S/C26H29N3O3/c1-2-31-26(30)24(19-7-9-22(10-8-19)32-23-11-12-29-16-23)14-17-3-4-18-5-6-20(25(27)28)15-21(18)13-17/h3-10,13,15,23-24,29H,2,11-12,14,16H2,1H3,(H3,27,28)/t23-,24?/m0/s1
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n/an/a>6.00E+5n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041224
PNG
((R)-3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@@H](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+6n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041227
PNG
(3-(6-Carbamimidoyl-benzofuran-2-yl)-2-[4-((S)-pyrr...)
Show SMILES NC(=N)c1ccc2cc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)oc2c1
Show InChI InChI=1S/C22H23N3O4/c23-21(24)15-2-1-14-9-18(29-20(14)10-15)11-19(22(26)27)13-3-5-16(6-4-13)28-17-7-8-25-12-17/h1-6,9-10,17,19,25H,7-8,11-12H2,(H3,23,24)(H,26,27)/t17-,19?/m0/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
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>1.20E+6n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50041221
PNG
(3-(7-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...)
Show SMILES NC(=N)c1ccc2ccc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2c1
Show InChI InChI=1S/C24H25N3O3/c25-23(26)18-4-3-16-2-1-15(11-19(16)13-18)12-22(24(28)29)17-5-7-20(8-6-17)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1
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Article
PubMed
n/an/a>1.60E+6n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM17283
PNG
((2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S...)
Show SMILES CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)[C@H](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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Article
PubMed
n/an/a>2.00E+6n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%


J Med Chem 37: 1200-7 (1994)


Article DOI: 10.1021/jm00034a018
BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair