Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50030796 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)) | BDBM50301573
((2S,3aS,7aS)-N-(4-carbamimidoylbenzyl)-1-((2S,3R)-...)Show SMILES CC(C)[C@@H](Cl)[C@@H](NC(=O)[C@H](O)Cc1ccccc1)C(=O)N1[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C32H42ClN5O4/c1-19(2)27(33)28(37-31(41)26(39)16-20-8-4-3-5-9-20)32(42)38-24-11-7-6-10-23(24)17-25(38)30(40)36-18-21-12-14-22(15-13-21)29(34)35/h3-5,8-9,12-15,19,23-28,39H,6-7,10-11,16-18H2,1-2H3,(H3,34,35)(H,36,40)(H,37,41)/t23-,24-,25-,26+,27+,28+/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301562
(CHEMBL584260 | N-(4-carbamimidoylbenzyl)-2-(1-(2-c...)Show SMILES CC1=C(CC(=O)NCc2ccc(cc2)C(N)=N)C(=O)N(CC1)NS(=O)(=O)c1c(C)cccc1Cl |c:1| Show InChI InChI=1S/C23H26ClN5O4S/c1-14-10-11-29(28-34(32,33)21-15(2)4-3-5-19(21)24)23(31)18(14)12-20(30)27-13-16-6-8-17(9-7-16)22(25)26/h3-9,28H,10-13H2,1-2H3,(H3,25,26)(H,27,30) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301571
((2S,3aS,7aS)-N-(4-carbamimidoylbenzyl)-1-((2R,3R)-...)Show SMILES CC[C@@H](C)[C@@H](NC(=O)[C@H](O)Cc1ccccc1)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C32H43N5O4/c1-3-20(2)28(36-31(40)27(38)17-21-9-5-4-6-10-21)32(41)37-25-12-8-7-11-24(25)18-26(37)30(39)35-19-22-13-15-23(16-14-22)29(33)34/h4-6,9-10,13-16,20,24-28,38H,3,7-8,11-12,17-19H2,1-2H3,(H3,33,34)(H,35,39)(H,36,40)/t20-,24+,25+,26+,27-,28-/m1/s1 | PDB
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PC cid
PC sid
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301572
((2S,3aS,7aS)-N-(4-carbamimidoylbenzyl)-1-((R)-3,3-...)Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H](NC(=O)[C@H](O)Cc2ccccc2)C(C2CCCCC2)C2CCCCC2)cc1 |r| Show InChI InChI=1S/C41H57N5O4/c42-38(43)31-22-20-28(21-23-31)26-44-39(48)34-25-32-18-10-11-19-33(32)46(34)41(50)37(45-40(49)35(47)24-27-12-4-1-5-13-27)36(29-14-6-2-7-15-29)30-16-8-3-9-17-30/h1,4-5,12-13,20-23,29-30,32-37,47H,2-3,6-11,14-19,24-26H2,(H3,42,43)(H,44,48)(H,45,49)/t32-,33-,34-,35+,37+/m0/s1 | PDB
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PC cid
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| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301574
(CHEMBL568990 | Chlorodysinosin A)Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@H](-[#6@H](Cl)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:38| Show InChI InChI=1S/C26H43ClN6O10S/c1-13(2)21(27)22(31-24(37)20(42-3)12-43-44(39,40)41)25(38)33-16-10-19(35)18(34)9-15(16)8-17(33)23(36)30-6-4-14-5-7-32(11-14)26(28)29/h5,13,15-22,34-35H,4,6-12H2,1-3H3,(H6,28,29,30,31,36,37,39,40,41)/t15-,16+,17+,18+,19+,20-,21-,22-/m1/s1 | PDB
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| CHEMBL
KEGG
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301559
(CHEMBL569249 | N-(4-carbamimidoylbenzyl)-2-(1-(2,5...)Show SMILES CC1=C(CC(=O)NCc2ccc(cc2)C(N)=N)C(=O)N(CC1)NS(=O)(=O)c1cc(C)ccc1C |c:1| Show InChI InChI=1S/C24H29N5O4S/c1-15-4-5-17(3)21(12-15)34(32,33)28-29-11-10-16(2)20(24(29)31)13-22(30)27-14-18-6-8-19(9-7-18)23(25)26/h4-9,12,28H,10-11,13-14H2,1-3H3,(H3,25,26)(H,27,30) | PDB
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301561
(CHEMBL565328 | N-(4-carbamimidoylbenzyl)-2-(1-(2,5...)Show SMILES CC1=C(CC(=O)NCc2ccc(cc2)C(N)=N)C(=O)N(CC1)NS(=O)(=O)c1cc(Cl)ccc1Cl |c:1| Show InChI InChI=1S/C22H23Cl2N5O4S/c1-13-8-9-29(28-34(32,33)19-10-16(23)6-7-18(19)24)22(31)17(13)11-20(30)27-12-14-2-4-15(5-3-14)21(25)26/h2-7,10,28H,8-9,11-12H2,1H3,(H3,25,26)(H,27,30) | PDB
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PC cid
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301558
(CHEMBL565292 | N-(4-carbamimidoylbenzyl)-2-(1-(3-m...)Show SMILES COc1cccc(c1)S(=O)(=O)NN1CCC(C)=C(CC(=O)NCc2ccc(cc2)C(N)=N)C1=O |t:17| Show InChI InChI=1S/C23H27N5O5S/c1-15-10-11-28(27-34(31,32)19-5-3-4-18(12-19)33-2)23(30)20(15)13-21(29)26-14-16-6-8-17(9-7-16)22(24)25/h3-9,12,27H,10-11,13-14H2,1-2H3,(H3,24,25)(H,26,29) | PDB
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PC cid
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50294877
((2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-D...)Show SMILES NC(=N)N1CC=C(CCNC(=O)[C@@H]2C[C@@H]3CC[C@@H](O)C[C@@H]3N2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](O)Cc2ccccc2)C1 |r,t:5| Show InChI InChI=1S/C34H44N6O5/c35-34(36)39-16-14-24(21-39)13-15-37-31(43)29-19-25-11-12-26(41)20-28(25)40(29)33(45)27(17-22-7-3-1-4-8-22)38-32(44)30(42)18-23-9-5-2-6-10-23/h1-10,14,25-30,41-42H,11-13,15-21H2,(H3,35,36)(H,37,43)(H,38,44)/t25-,26+,27+,28-,29-,30+/m0/s1 | PDB
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Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Prothrombin
(Homo sapiens (Human)) | BDBM50301557
(CHEMBL565291 | N-(4-carbamimidoylbenzyl)-2-(4-meth...)Show SMILES CC1=C(CC(=O)NCc2ccc(cc2)C(N)=N)C(=O)N(CC1)NS(=O)(=O)c1ccccc1 |c:1| Show InChI InChI=1S/C22H25N5O4S/c1-15-11-12-27(26-32(30,31)18-5-3-2-4-6-18)22(29)19(15)13-20(28)25-14-16-7-9-17(10-8-16)21(23)24/h2-10,26H,11-14H2,1H3,(H3,23,24)(H,25,28) | PDB
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| CHEMBL
PC cid
PC sid
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301563
(CHEMBL568099 | N-(4-carbamimidoylbenzyl)-2-(1-(2-m...)Show SMILES COc1cc(C)ccc1S(=O)(=O)NN1CCC(C)=C(CC(=O)NCc2ccc(cc2)C(N)=N)C1=O |t:18| Show InChI InChI=1S/C24H29N5O5S/c1-15-4-9-21(20(12-15)34-3)35(32,33)28-29-11-10-16(2)19(24(29)31)13-22(30)27-14-17-5-7-18(8-6-17)23(25)26/h4-9,12,28H,10-11,13-14H2,1-3H3,(H3,25,26)(H,27,30) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50269776
(CHEMBL502639 | Dysinosin A)Show SMILES [#6]-[#8]-[#6@H](-[#6]-[#8]S([#8-])(=O)=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#6@H]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-1=[#6]-[#6]\[#7+](-[#6]-1)=[#6](\[#7])-[#7] |r,t:37| Show InChI InChI=1S/C26H44N6O10S/c1-14(2)8-17(30-24(36)22(41-3)13-42-43(38,39)40)25(37)32-18-11-21(34)20(33)10-16(18)9-19(32)23(35)29-6-4-15-5-7-31(12-15)26(27)28/h5,14,16-22,33-34H,4,6-13H2,1-3H3,(H6,27,28,29,30,35,36,38,39,40)/t16-,17-,18+,19+,20+,21+,22-/m1/s1 | PDB
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PC cid
PC sid
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| Article
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301560
(CHEMBL568541 | N-(4-carbamimidoylbenzyl)-2-(1-(4-c...)Show SMILES CC1=C(CC(=O)NCc2ccc(cc2)C(N)=N)C(=O)N(CC1)NS(=O)(=O)c1ccc(Cl)cc1F |c:1| Show InChI InChI=1S/C22H23ClFN5O4S/c1-13-8-9-29(28-34(32,33)19-7-6-16(23)10-18(19)24)22(31)17(13)11-20(30)27-12-14-2-4-15(5-3-14)21(25)26/h2-7,10,28H,8-9,11-12H2,1H3,(H3,25,26)(H,27,30) | PDB
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PC cid
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PubMed
| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301556
(CHEMBL569029 | N-(4-carbamimidoylbenzyl)-2-(4-meth...)Show SMILES CC1=C(CC(=O)NCc2ccc(cc2)C(N)=N)C(=O)N(CC1)NS(=O)(=O)Cc1ccccc1 |c:1| Show InChI InChI=1S/C23H27N5O4S/c1-16-11-12-28(27-33(31,32)15-18-5-3-2-4-6-18)23(30)20(16)13-21(29)26-14-17-7-9-19(10-8-17)22(24)25/h2-10,27H,11-15H2,1H3,(H3,24,25)(H,26,29) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 241 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50235520
(CHEMBL540119 | CHEMBL566363 | N-(4-carbamimidoylbe...)Show SMILES Cc1ccc(C)c(c1)S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C24H27N5O4S/c1-15-4-5-17(3)21(12-15)34(32,33)28-29-11-10-16(2)20(24(29)31)13-22(30)27-14-18-6-8-19(9-7-18)23(25)26/h4-12,28H,13-14H2,1-3H3,(H3,25,26)(H,27,30) | PDB
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| n/a | n/a | 578 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301564
(CHEMBL572353 | N-(4-carbamimidoylbenzyl)-2-(4-meth...)Show SMILES CC1=C(CC(=O)NCc2ccc(cc2)C(N)=N)C(=O)N(CC1)NS(=O)(=O)c1cccc2ccccc12 |c:1| Show InChI InChI=1S/C26H27N5O4S/c1-17-13-14-31(30-36(34,35)23-8-4-6-19-5-2-3-7-21(19)23)26(33)22(17)15-24(32)29-16-18-9-11-20(12-10-18)25(27)28/h2-12,30H,13-16H2,1H3,(H3,27,28)(H,29,32) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 915 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50235521
(CHEMBL535862 | CHEMBL565508 | N-(4-carbamimidoylbe...)Show SMILES COc1cccc(c1)S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C23H25N5O5S/c1-15-10-11-28(27-34(31,32)19-5-3-4-18(12-19)33-2)23(30)20(15)13-21(29)26-14-16-6-8-17(9-7-16)22(24)25/h3-12,27H,13-14H2,1-2H3,(H3,24,25)(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50235532
(CHEMBL557579 | CHEMBL572136 | N-(4-carbamimidoylbe...)Show SMILES COc1cc(C)ccc1S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(cc2)C(N)=N)c1=O Show InChI InChI=1S/C24H27N5O5S/c1-15-4-9-21(20(12-15)34-3)35(32,33)28-29-11-10-16(2)19(24(29)31)13-22(30)27-14-17-5-7-18(8-6-17)23(25)26/h4-12,28H,13-14H2,1-3H3,(H3,25,26)(H,27,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50235522
(CHEMBL556575 | CHEMBL566355 | N-(4-carbamimidoylbe...)Show SMILES Cc1ccn(NS(=O)(=O)c2ccccc2)c(=O)c1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H23N5O4S/c1-15-11-12-27(26-32(30,31)18-5-3-2-4-6-18)22(29)19(15)13-20(28)25-14-16-7-9-17(10-8-16)21(23)24/h2-12,26H,13-14H2,1H3,(H3,23,24)(H,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50301570
(CHEMBL567031 | N-(4-carbamimidoylbenzyl)-2-(4-meth...)Show SMILES Cc1ccn(NS(=O)(=O)Cc2ccccc2)c(=O)c1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C23H25N5O4S/c1-16-11-12-28(27-33(31,32)15-18-5-3-2-4-6-18)23(30)20(16)13-21(29)26-14-17-7-9-19(10-8-17)22(24)25/h2-12,27H,13-15H2,1H3,(H3,24,25)(H,26,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50235530
(CHEMBL540121 | CHEMBL565315 | N-(4-carbamimidoylbe...)Show SMILES Cc1ccn(NS(=O)(=O)c2cccc3ccccc23)c(=O)c1CC(=O)NCc1ccc(cc1)C(N)=N Show InChI InChI=1S/C26H25N5O4S/c1-17-13-14-31(30-36(34,35)23-8-4-6-19-5-2-3-7-21(19)23)26(33)22(17)15-24(32)29-16-18-9-11-20(12-10-18)25(27)28/h2-14,30H,15-16H2,1H3,(H3,27,28)(H,29,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Inhibition of human thrombin |
Bioorg Med Chem Lett 19: 5429-32 (2009)
Article DOI: 10.1016/j.bmcl.2009.07.107
BindingDB Entry DOI: 10.7270/Q2MP53BQ |
More data for this
Ligand-Target Pair | |
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