Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50037698 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Prothrombin
(Homo sapiens (Human)) | BDBM50114263
(((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1 | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182198
(((R)-2-{(S)-2-[(5-carbamimidoyl-thiophen-2-ylmethy...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 Show InChI InChI=1S/C22H33N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h8-9,14,16-17,25H,1-7,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50182196
(((R)-2-{(S)-5-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)C2=[N+](NCC2)C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 |t:11| Show InChI InChI=1S/C22H31N7O4/c23-20(24)16-7-6-15(11-25-16)12-27-21(32)18-8-9-28-29(18)22(33)17(26-13-19(30)31)10-14-4-2-1-3-5-14/h6-7,11,14,17,26H,1-5,8-10,12-13H2,(H5-,23,24,27,28,30,31,32)/p+1/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182194
(CHEMBL206418 | {(R)-2-[(S)-2-(4-carbamimidoyl-benz...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 |c:12| Show InChI InChI=1S/C24H33N5O4/c25-22(26)18-10-8-17(9-11-18)14-28-23(32)20-7-4-12-29(20)24(33)19(27-15-21(30)31)13-16-5-2-1-3-6-16/h4,7-11,16,19-20,27H,1-3,5-6,12-15H2,(H3,25,26)(H,28,32)(H,30,31)/t19-,20+/m1/s1 | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182201
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 |c:12| Show InChI InChI=1S/C23H32N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h4,7-9,12,15,18-19,27H,1-3,5-6,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1 | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50182189
(CHEMBL207187 | {(R)-2-[(S)-2-(4-carbamimidoyl-benz...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cc1 Show InChI InChI=1S/C24H35N5O4/c25-22(26)18-10-8-17(9-11-18)14-28-23(32)20-7-4-12-29(20)24(33)19(27-15-21(30)31)13-16-5-2-1-3-6-16/h8-11,16,19-20,27H,1-7,12-15H2,(H3,25,26)(H,28,32)(H,30,31)/t19-,20+/m1/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182210
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C23H34N6O4/c24-21(25)17-9-8-16(12-26-17)13-28-22(32)19-7-4-10-29(19)23(33)18(27-14-20(30)31)11-15-5-2-1-3-6-15/h8-9,12,15,18-19,27H,1-7,10-11,13-14H2,(H3,24,25)(H,28,32)(H,30,31)/t18-,19+/m1/s1 | PDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182197
(((R)-2-{(S)-5-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCNN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C22H33N7O4/c23-20(24)16-7-6-15(11-25-16)12-27-21(32)18-8-9-28-29(18)22(33)17(26-13-19(30)31)10-14-4-2-1-3-5-14/h6-7,11,14,17-18,26,28H,1-5,8-10,12-13H2,(H3,23,24)(H,27,32)(H,30,31)/t17-,18+/m1/s1 | PDB
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| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182208
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C24H36N6O4/c25-22(26)18-10-9-17(13-27-18)14-29-23(33)20-8-4-5-11-30(20)24(34)19(28-15-21(31)32)12-16-6-2-1-3-7-16/h9-10,13,16,19-20,28H,1-8,11-12,14-15H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,20+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 14.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182190
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2SCCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C22H32N6O4S/c23-19(24)16-7-6-15(11-25-16)12-27-20(31)22-28(8-9-33-22)21(32)17(26-13-18(29)30)10-14-4-2-1-3-5-14/h6-7,11,14,17,22,26H,1-5,8-10,12-13H2,(H3,23,24)(H,27,31)(H,29,30)/t17-,22+/m1/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182207
(CHEMBL208262 | N-(CARBOXYMETHYL)-3-CYCLOHEXYL-D-AL...)Show SMILES C[C@H](N(C)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N Show InChI InChI=1S/C22H34N6O4/c1-14(21(31)27-12-16-8-9-17(20(23)24)25-11-16)28(2)22(32)18(26-13-19(29)30)10-15-6-4-3-5-7-15/h8-9,11,14-15,18,26H,3-7,10,12-13H2,1-2H3,(H3,23,24)(H,27,31)(H,29,30)/t14-,18+/m0/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 20.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50182193
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC(=C)CN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C24H34N6O4/c1-15-9-20(23(33)29-12-17-7-8-18(22(25)26)27-11-17)30(14-15)24(34)19(28-13-21(31)32)10-16-5-3-2-4-6-16/h7-8,11,16,19-20,28H,1-6,9-10,12-14H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,20+/m1/s1 | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 31.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182187
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES CC1(C)C[C@H](N(C1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N Show InChI InChI=1S/C25H38N6O4/c1-25(2)11-20(23(34)30-13-17-8-9-18(22(26)27)28-12-17)31(15-25)24(35)19(29-14-21(32)33)10-16-6-4-3-5-7-16/h8-9,12,16,19-20,29H,3-7,10-11,13-15H2,1-2H3,(H3,26,27)(H,30,34)(H,32,33)/t19-,20+/m1/s1 | PDB
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| Article
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| n/a | n/a | 44.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182191
(((R)-1-{1-[(6-carbamimidoyl-pyridin-3-ylmethyl)-ca...)Show SMILES NC(=N)c1ccc(CNC(=O)C2(CCCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C24H36N6O4/c25-21(26)18-9-8-17(13-27-18)14-29-23(34)24(10-4-5-11-24)30-22(33)19(28-15-20(31)32)12-16-6-2-1-3-7-16/h8-9,13,16,19,28H,1-7,10-12,14-15H2,(H3,25,26)(H,29,34)(H,30,33)(H,31,32)/t19-/m1/s1 | PDB
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| n/a | n/a | 47.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50182204
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@H]2N(CCC2=C)C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C24H34N6O4/c1-15-9-10-30(21(15)23(33)29-13-17-7-8-18(22(25)26)27-12-17)24(34)19(28-14-20(31)32)11-16-5-3-2-4-6-16/h7-8,12,16,19,21,28H,1-6,9-11,13-14H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,21+/m1/s1 | PDB
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PubMed
| n/a | n/a | 56.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182211
(((R)-2-{(R)-4-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CSCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C22H32N6O4S/c23-20(24)16-7-6-15(9-25-16)10-27-21(31)18-12-33-13-28(18)22(32)17(26-11-19(29)30)8-14-4-2-1-3-5-14/h6-7,9,14,17-18,26H,1-5,8,10-13H2,(H3,23,24)(H,27,31)(H,29,30)/t17-,18+/m1/s1 | PDB
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| n/a | n/a | 58.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM29388
(Exanta | Melagatran | US11584714, Compound 999)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(O)=O)C2CCCCC2)cc1 Show InChI InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 69.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50182206
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 |c:13| Show InChI InChI=1S/C24H34N6O4/c25-22(26)18-10-9-17(13-27-18)14-29-23(33)20-8-4-5-11-30(20)24(34)19(28-15-21(31)32)12-16-6-2-1-3-7-16/h4-5,9-10,13,16,19-20,28H,1-3,6-8,11-12,14-15H2,(H3,25,26)(H,29,33)(H,31,32)/t19-,20+/m1/s1 | PDB
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UniChem
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PubMed
| n/a | n/a | 71.2 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182188
(((R)-1-{(S)-1-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES C[C@H](NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N Show InChI InChI=1S/C21H32N6O4/c1-13(20(30)26-11-15-7-8-16(19(22)23)24-10-15)27-21(31)17(25-12-18(28)29)9-14-5-3-2-4-6-14/h7-8,10,13-14,17,25H,2-6,9,11-12H2,1H3,(H3,22,23)(H,26,30)(H,27,31)(H,28,29)/t13-,17+/m0/s1 | PDB
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PubMed
| n/a | n/a | 76.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182205
(((R)-1-{1-[(6-carbamimidoyl-pyridin-3-ylmethyl)-ca...)Show SMILES NC(=N)c1ccc(CNC(=O)C2(CCCCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C25H38N6O4/c26-22(27)19-10-9-18(14-28-19)15-30-24(35)25(11-5-2-6-12-25)31-23(34)20(29-16-21(32)33)13-17-7-3-1-4-8-17/h9-10,14,17,20,29H,1-8,11-13,15-16H2,(H3,26,27)(H,30,35)(H,31,34)(H,32,33)/t20-/m1/s1 | PDB
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PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182200
(((R)-2-{(S)-4-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2COCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C22H32N6O5/c23-20(24)16-7-6-15(9-25-16)10-27-21(31)18-12-33-13-28(18)22(32)17(26-11-19(29)30)8-14-4-2-1-3-5-14/h6-7,9,14,17-18,26H,1-5,8,10-13H2,(H3,23,24)(H,27,31)(H,29,30)/t17-,18+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 288 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182203
(((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CC(F)(F)CN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C23H32F2N6O4/c24-23(25)9-18(21(34)30-11-15-6-7-16(20(26)27)28-10-15)31(13-23)22(35)17(29-12-19(32)33)8-14-4-2-1-3-5-14/h6-7,10,14,17-18,29H,1-5,8-9,11-13H2,(H3,26,27)(H,30,34)(H,32,33)/t17-,18+/m1/s1 | PDB
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PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182192
(((R)-1-{1-[(6-carbamimidoyl-pyridin-3-ylmethyl)-ca...)Show SMILES CC(C)(NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N Show InChI InChI=1S/C22H34N6O4/c1-22(2,21(32)27-12-15-8-9-16(19(23)24)25-11-15)28-20(31)17(26-13-18(29)30)10-14-6-4-3-5-7-14/h8-9,11,14,17,26H,3-7,10,12-13H2,1-2H3,(H3,23,24)(H,27,32)(H,28,31)(H,29,30)/t17-/m1/s1 | PDB
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PubMed
| n/a | n/a | 581 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182209
(((R)-1-{1-[(6-carbamimidoyl-pyridin-3-ylmethyl)-ca...)Show SMILES NC(=N)c1ccc(CNC(=O)C2(CC2)NC(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 Show InChI InChI=1S/C22H32N6O4/c23-19(24)16-7-6-15(11-25-16)12-27-21(32)22(8-9-22)28-20(31)17(26-13-18(29)30)10-14-4-2-1-3-5-14/h6-7,11,14,17,26H,1-5,8-10,12-13H2,(H3,23,24)(H,27,32)(H,28,31)(H,29,30)/t17-/m1/s1 | PDB
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| n/a | n/a | 4.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50182202
(((R)-1-{(R)-1-[(6-carbamimidoyl-pyridin-3-ylmethyl...)Show SMILES C[C@@H](NC(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N Show InChI InChI=1S/C21H32N6O4/c1-13(20(30)26-11-15-7-8-16(19(22)23)24-10-15)27-21(31)17(25-12-18(28)29)9-14-5-3-2-4-6-14/h7-8,10,13-14,17,25H,2-6,9,11-12H2,1H3,(H3,22,23)(H,26,30)(H,27,31)(H,28,29)/t13-,17-/m1/s1 | PDB
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| n/a | n/a | 5.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott GmbH& Co. KG
Curated by ChEMBL
| Assay Description
Inhibition of thrombin by chromogenic assay |
Bioorg Med Chem Lett 16: 2648-53 (2006)
Article DOI: 10.1016/j.bmcl.2006.01.046
BindingDB Entry DOI: 10.7270/Q2GM883V |
More data for this
Ligand-Target Pair | |
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