Found 85 hits with Last Name = 'prezelj' and Initial = 'a' 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)) | BDBM50147480
(CHEMBL109999 | N-(3-Amino-2-imino-2,3,4,5,6,7-hexa...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2c(C1)sc(=N)n2N Show InChI InChI=1S/C22H25FN6O4S2/c1-13-2-8-17(27-35(32,33)12-14-3-5-15(23)6-4-14)21(31)28(13)11-20(30)26-16-7-9-18-19(10-16)34-22(24)29(18)25/h2-6,8,16,24,27H,7,9-12,25H2,1H3,(H,26,30) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147477
(CHEMBL111122 | N-(3-Amino-2-imino-2,3,4,5,6,7-hexa...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2c(C1)sc(=N)n2N Show InChI InChI=1S/C22H26N6O4S2/c1-14-7-9-17(26-34(31,32)13-15-5-3-2-4-6-15)21(30)27(14)12-20(29)25-16-8-10-18-19(11-16)33-22(23)28(18)24/h2-7,9,16,23,26H,8,10-13,24H2,1H3,(H,25,29) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147489
(CHEMBL109696 | N-((R)-2-Amino-4,5,6,7-tetrahydro-b...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28)/t16-/m1/s1 | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147475
(CHEMBL419008 | N-((R)-2-Amino-4,5,6,7-tetrahydro-b...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)N[C@@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H24FN5O4S2/c1-13-2-8-18(27-34(31,32)12-14-3-5-15(23)6-4-14)21(30)28(13)11-20(29)25-16-7-9-17-19(10-16)33-22(24)26-17/h2-6,8,16,27H,7,9-12H2,1H3,(H2,24,26)(H,25,29)/t16-/m1/s1 | PDB
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PC sid
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| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147488
(CHEMBL110201 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H24FN5O4S2/c1-13-2-8-18(27-34(31,32)12-14-3-5-15(23)6-4-14)21(30)28(13)11-20(29)25-16-7-9-17-19(10-16)33-22(24)26-17/h2-6,8,16,27H,7,9-12H2,1H3,(H2,24,26)(H,25,29) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147487
(CHEMBL111160 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(CS(=O)(=O)Nc2ccc(C)n(CC(=O)NC3CCc4nc(N)sc4C3)c2=O)cc1 Show InChI InChI=1S/C23H27N5O4S2/c1-14-3-6-16(7-4-14)13-34(31,32)27-19-9-5-15(2)28(22(19)30)12-21(29)25-17-8-10-18-20(11-17)33-23(24)26-18/h3-7,9,17,27H,8,10-13H2,1-2H3,(H2,24,26)(H,25,29) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147485
(2-(6-Methyl-2-oxo-3-p-tolylmethanesulfonylamino-2H...)Show SMILES Cc1ccc(CS(=O)(=O)Nc2ccc(C)n(CC(=O)NCC3CCc4[nH]ncc4C3)c2=O)cc1 Show InChI InChI=1S/C24H29N5O4S/c1-16-3-6-18(7-4-16)15-34(32,33)28-22-9-5-17(2)29(24(22)31)14-23(30)25-12-19-8-10-21-20(11-19)13-26-27-21/h3-7,9,13,19,28H,8,10-12,14-15H2,1-2H3,(H,25,30)(H,26,27) | PDB
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PC cid
PC sid
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| Article
PubMed
| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147483
(CHEMBL327136 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28) | PDB
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PC sid
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| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147476
(2-[3-(4-Fluoro-phenylmethanesulfonylamino)-6-methy...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H26FN5O4S/c1-15-2-8-21(28-34(32,33)14-16-3-6-19(24)7-4-16)23(31)29(15)13-22(30)25-11-17-5-9-20-18(10-17)12-26-27-20/h2-4,6-8,12,17,28H,5,9-11,13-14H2,1H3,(H,25,30)(H,26,27) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147490
(CHEMBL111468 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H23ClFN5O4S2/c1-12-2-6-18(28-35(32,33)11-13-3-4-14(24)8-16(13)23)21(31)29(12)10-20(30)26-15-5-7-17-19(9-15)34-22(25)27-17/h2-4,6,8,15,28H,5,7,9-11H2,1H3,(H2,25,27)(H,26,30) | PDB
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| CHEMBL
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PC sid
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| Article
PubMed
| 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147486
(2-[3-(2-Chloro-4-fluoro-phenylmethanesulfonylamino...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H25ClFN5O4S/c1-14-2-6-21(29-35(33,34)13-16-4-5-18(25)9-19(16)24)23(32)30(14)12-22(31)26-10-15-3-7-20-17(8-15)11-27-28-20/h2,4-6,9,11,15,29H,3,7-8,10,12-13H2,1H3,(H,26,31)(H,27,28) | PDB
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PC sid
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| Article
PubMed
| 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50132525
(2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H27N5O4S/c1-16-7-9-21(27-33(31,32)15-17-5-3-2-4-6-17)23(30)28(16)14-22(29)24-12-18-8-10-20-19(11-18)13-25-26-20/h2-7,9,13,18,27H,8,10-12,14-15H2,1H3,(H,24,29)(H,25,26) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147479
(2-[6-Methyl-2-oxo-3-(3-trifluoromethyl-phenylmetha...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2cccc(c2)C(F)(F)F)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C24H26F3N5O4S/c1-15-5-7-21(31-37(35,36)14-17-3-2-4-19(10-17)24(25,26)27)23(34)32(15)13-22(33)28-11-16-6-8-20-18(9-16)12-29-30-20/h2-5,7,10,12,16,31H,6,8-9,11,13-14H2,1H3,(H,28,33)(H,29,30) | PDB
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PC cid
PC sid
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| Article
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| 562 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147478
(CHEMBL109217 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2cccc(c2)C(F)(F)F)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C23H24F3N5O4S2/c1-13-5-7-18(30-37(34,35)12-14-3-2-4-15(9-14)23(24,25)26)21(33)31(13)11-20(32)28-16-6-8-17-19(10-16)36-22(27)29-17/h2-5,7,9,16,30H,6,8,10-12H2,1H3,(H2,27,29)(H,28,32) | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| 652 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147492
(CHEMBL109345 | N-((S)-2-Amino-4,5,6,7-tetrahydro-b...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28)/t16-/m0/s1 | PDB
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PC sid
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Similars
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PubMed
| 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147481
(CHEMBL322542 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES CCCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NC2CCc3nc(N)sc3C2)c1=O Show InChI InChI=1S/C19H27N5O4S2/c1-3-4-9-30(27,28)23-15-7-5-12(2)24(18(15)26)11-17(25)21-13-6-8-14-16(10-13)29-19(20)22-14/h5,7,13,23H,3-4,6,8-11H2,1-2H3,(H2,20,22)(H,21,25) | PDB
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PC sid
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| Article
PubMed
| 1.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147491
(CHEMBL419023 | N-((S)-2-Amino-4,5,6,7-tetrahydro-b...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)N[C@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H24FN5O4S2/c1-13-2-8-18(27-34(31,32)12-14-3-5-15(23)6-4-14)21(30)28(13)11-20(29)25-16-7-9-17-19(10-16)33-22(24)26-17/h2-6,8,16,27H,7,9-12H2,1H3,(H2,24,26)(H,25,29)/t16-/m0/s1 | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147482
(CHEMBL111013 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES CCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NC2CCc3nc(N)sc3C2)c1=O Show InChI InChI=1S/C18H25N5O4S2/c1-3-8-29(26,27)22-14-6-4-11(2)23(17(14)25)10-16(24)20-12-5-7-13-15(9-12)28-18(19)21-13/h4,6,12,22H,3,5,7-10H2,1-2H3,(H2,19,21)(H,20,24) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147477
(CHEMBL111122 | N-(3-Amino-2-imino-2,3,4,5,6,7-hexa...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2c(C1)sc(=N)n2N Show InChI InChI=1S/C22H26N6O4S2/c1-14-7-9-17(26-34(31,32)13-15-5-3-2-4-6-15)21(30)27(14)12-20(29)25-16-8-10-18-19(11-16)33-22(23)28(18)24/h2-7,9,16,23,26H,8,10-13,24H2,1H3,(H,25,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50147484
(CHEMBL109228 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES CCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NCC2CCc3nc(N)sc3C2)c1=O Show InChI InChI=1S/C19H27N5O4S2/c1-3-8-30(27,28)23-15-6-4-12(2)24(18(15)26)11-17(25)21-10-13-5-7-14-16(9-13)29-19(20)22-14/h4,6,13,23H,3,5,7-11H2,1-2H3,(H2,20,22)(H,21,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of human thrombin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147480
(CHEMBL109999 | N-(3-Amino-2-imino-2,3,4,5,6,7-hexa...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2c(C1)sc(=N)n2N Show InChI InChI=1S/C22H25FN6O4S2/c1-13-2-8-17(27-35(32,33)12-14-3-5-15(23)6-4-14)21(31)28(13)11-20(30)26-16-7-9-18-19(10-16)34-22(24)29(18)25/h2-6,8,16,24,27H,7,9-12,25H2,1H3,(H,26,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147481
(CHEMBL322542 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES CCCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NC2CCc3nc(N)sc3C2)c1=O Show InChI InChI=1S/C19H27N5O4S2/c1-3-4-9-30(27,28)23-15-7-5-12(2)24(18(15)26)11-17(25)21-13-6-8-14-16(10-13)29-19(20)22-14/h5,7,13,23H,3-4,6,8-11H2,1-2H3,(H2,20,22)(H,21,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147482
(CHEMBL111013 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES CCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NC2CCc3nc(N)sc3C2)c1=O Show InChI InChI=1S/C18H25N5O4S2/c1-3-8-29(26,27)22-14-6-4-11(2)23(17(14)25)10-16(24)20-12-5-7-13-15(9-12)28-18(19)21-13/h4,6,12,22H,3,5,7-10H2,1-2H3,(H2,19,21)(H,20,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147490
(CHEMBL111468 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H23ClFN5O4S2/c1-12-2-6-18(28-35(32,33)11-13-3-4-14(24)8-16(13)23)21(31)29(12)10-20(30)26-15-5-7-17-19(9-15)34-22(25)27-17/h2-4,6,8,15,28H,5,7,9-11H2,1H3,(H2,25,27)(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147486
(2-[3-(2-Chloro-4-fluoro-phenylmethanesulfonylamino...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H25ClFN5O4S/c1-14-2-6-21(29-35(33,34)13-16-4-5-18(25)9-19(16)24)23(32)30(14)12-22(31)26-10-15-3-7-20-17(8-15)11-27-28-20/h2,4-6,9,11,15,29H,3,7-8,10,12-13H2,1H3,(H,26,31)(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147487
(CHEMBL111160 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(CS(=O)(=O)Nc2ccc(C)n(CC(=O)NC3CCc4nc(N)sc4C3)c2=O)cc1 Show InChI InChI=1S/C23H27N5O4S2/c1-14-3-6-16(7-4-14)13-34(31,32)27-19-9-5-15(2)28(22(19)30)12-21(29)25-17-8-10-18-20(11-17)33-23(24)26-18/h3-7,9,17,27H,8,10-13H2,1-2H3,(H2,24,26)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147478
(CHEMBL109217 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2cccc(c2)C(F)(F)F)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C23H24F3N5O4S2/c1-13-5-7-18(30-37(34,35)12-14-3-2-4-15(9-14)23(24,25)26)21(33)31(13)11-20(32)28-16-6-8-17-19(10-16)36-22(27)29-17/h2-5,7,9,16,30H,6,8,10-12H2,1H3,(H2,27,29)(H,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147483
(CHEMBL327136 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50132525
(2-(6-Methyl-2-oxo-3-phenylmethanesulfonylamino-2H-...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H27N5O4S/c1-16-7-9-21(27-33(31,32)15-17-5-3-2-4-6-17)23(30)28(16)14-22(29)24-12-18-8-10-20-19(11-18)13-25-26-20/h2-7,9,13,18,27H,8,10-12,14-15H2,1H3,(H,24,29)(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.03E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147480
(CHEMBL109999 | N-(3-Amino-2-imino-2,3,4,5,6,7-hexa...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2c(C1)sc(=N)n2N Show InChI InChI=1S/C22H25FN6O4S2/c1-13-2-8-17(27-35(32,33)12-14-3-5-15(23)6-4-14)21(31)28(13)11-20(30)26-16-7-9-18-19(10-16)34-22(24)29(18)25/h2-6,8,16,24,27H,7,9-12,25H2,1H3,(H,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.31E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147491
(CHEMBL419023 | N-((S)-2-Amino-4,5,6,7-tetrahydro-b...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)N[C@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H24FN5O4S2/c1-13-2-8-18(27-34(31,32)12-14-3-5-15(23)6-4-14)21(30)28(13)11-20(29)25-16-7-9-17-19(10-16)33-22(24)26-17/h2-6,8,16,27H,7,9-12H2,1H3,(H2,24,26)(H,25,29)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.76E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147481
(CHEMBL322542 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES CCCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NC2CCc3nc(N)sc3C2)c1=O Show InChI InChI=1S/C19H27N5O4S2/c1-3-4-9-30(27,28)23-15-7-5-12(2)24(18(15)26)11-17(25)21-13-6-8-14-16(10-13)29-19(20)22-14/h5,7,13,23H,3-4,6,8-11H2,1-2H3,(H2,20,22)(H,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.79E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147482
(CHEMBL111013 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES CCCS(=O)(=O)Nc1ccc(C)n(CC(=O)NC2CCc3nc(N)sc3C2)c1=O Show InChI InChI=1S/C18H25N5O4S2/c1-3-8-29(26,27)22-14-6-4-11(2)23(17(14)25)10-16(24)20-12-5-7-13-15(9-12)28-18(19)21-13/h4,6,12,22H,3,5,7-10H2,1-2H3,(H2,19,21)(H,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147477
(CHEMBL111122 | N-(3-Amino-2-imino-2,3,4,5,6,7-hexa...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2c(C1)sc(=N)n2N Show InChI InChI=1S/C22H26N6O4S2/c1-14-7-9-17(26-34(31,32)13-15-5-3-2-4-6-15)21(30)27(14)12-20(29)25-16-8-10-18-19(11-16)33-22(23)28(18)24/h2-7,9,16,23,26H,8,10-13,24H2,1H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147478
(CHEMBL109217 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2cccc(c2)C(F)(F)F)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C23H24F3N5O4S2/c1-13-5-7-18(30-37(34,35)12-14-3-2-4-15(9-14)23(24,25)26)21(33)31(13)11-20(32)28-16-6-8-17-19(10-16)36-22(27)29-17/h2-5,7,9,16,30H,6,8,10-12H2,1H3,(H2,27,29)(H,28,32) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147489
(CHEMBL109696 | N-((R)-2-Amino-4,5,6,7-tetrahydro-b...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147485
(2-(6-Methyl-2-oxo-3-p-tolylmethanesulfonylamino-2H...)Show SMILES Cc1ccc(CS(=O)(=O)Nc2ccc(C)n(CC(=O)NCC3CCc4[nH]ncc4C3)c2=O)cc1 Show InChI InChI=1S/C24H29N5O4S/c1-16-3-6-18(7-4-16)15-34(32,33)28-22-9-5-17(2)29(24(22)31)14-23(30)25-12-19-8-10-21-20(11-19)13-26-27-21/h3-7,9,13,19,28H,8,10-12,14-15H2,1-2H3,(H,25,30)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.28E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147487
(CHEMBL111160 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(CS(=O)(=O)Nc2ccc(C)n(CC(=O)NC3CCc4nc(N)sc4C3)c2=O)cc1 Show InChI InChI=1S/C23H27N5O4S2/c1-14-3-6-16(7-4-14)13-34(31,32)27-19-9-5-15(2)28(22(19)30)12-21(29)25-17-8-10-18-20(11-17)33-23(24)26-18/h3-7,9,17,27H,8,10-13H2,1-2H3,(H2,24,26)(H,25,29) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.46E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147479
(2-[6-Methyl-2-oxo-3-(3-trifluoromethyl-phenylmetha...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2cccc(c2)C(F)(F)F)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C24H26F3N5O4S/c1-15-5-7-21(31-37(35,36)14-17-3-2-4-19(10-17)24(25,26)27)23(34)32(15)13-22(33)28-11-16-6-8-20-18(9-16)12-29-30-20/h2-5,7,10,12,16,31H,6,8-9,11,13-14H2,1H3,(H,28,33)(H,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.52E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147476
(2-[3-(4-Fluoro-phenylmethanesulfonylamino)-6-methy...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H26FN5O4S/c1-15-2-8-21(28-34(32,33)14-16-3-6-19(24)7-4-16)23(31)29(15)13-22(30)25-11-17-5-9-20-18(10-17)12-26-27-20/h2-4,6-8,12,17,28H,5,9-11,13-14H2,1H3,(H,25,30)(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.58E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147483
(CHEMBL327136 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147489
(CHEMBL109696 | N-((R)-2-Amino-4,5,6,7-tetrahydro-b...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28)/t16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.63E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147492
(CHEMBL109345 | N-((S)-2-Amino-4,5,6,7-tetrahydro-b...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.94E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147488
(CHEMBL110201 | N-(2-Amino-4,5,6,7-tetrahydro-benzo...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H24FN5O4S2/c1-13-2-8-18(27-34(31,32)12-14-3-5-15(23)6-4-14)21(30)28(13)11-20(29)25-16-7-9-17-19(10-16)33-22(24)26-17/h2-6,8,16,27H,7,9-12H2,1H3,(H2,24,26)(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147486
(2-[3-(2-Chloro-4-fluoro-phenylmethanesulfonylamino...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2Cl)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H25ClFN5O4S/c1-14-2-6-21(29-35(33,34)13-16-4-5-18(25)9-19(16)24)23(32)30(14)12-22(31)26-10-15-3-7-20-17(8-15)11-27-28-20/h2,4-6,9,11,15,29H,3,7-8,10,12-13H2,1H3,(H,26,31)(H,27,28) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147485
(2-(6-Methyl-2-oxo-3-p-tolylmethanesulfonylamino-2H...)Show SMILES Cc1ccc(CS(=O)(=O)Nc2ccc(C)n(CC(=O)NCC3CCc4[nH]ncc4C3)c2=O)cc1 Show InChI InChI=1S/C24H29N5O4S/c1-16-3-6-18(7-4-16)15-34(32,33)28-22-9-5-17(2)29(24(22)31)14-23(30)25-12-19-8-10-21-20(11-19)13-26-27-21/h3-7,9,13,19,28H,8,10-12,14-15H2,1-2H3,(H,25,30)(H,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147476
(2-[3-(4-Fluoro-phenylmethanesulfonylamino)-6-methy...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C23H26FN5O4S/c1-15-2-8-21(28-34(32,33)14-16-3-6-19(24)7-4-16)23(31)29(15)13-22(30)25-11-17-5-9-20-18(10-17)12-26-27-20/h2-4,6-8,12,17,28H,5,9-11,13-14H2,1H3,(H,25,30)(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.14E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147492
(CHEMBL109345 | N-((S)-2-Amino-4,5,6,7-tetrahydro-b...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)N[C@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H25N5O4S2/c1-14-7-9-18(26-33(30,31)13-15-5-3-2-4-6-15)21(29)27(14)12-20(28)24-16-8-10-17-19(11-16)32-22(23)25-17/h2-7,9,16,26H,8,10-13H2,1H3,(H2,23,25)(H,24,28)/t16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.71E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Anionic trypsin
(Bos taurus) | BDBM50147479
(2-[6-Methyl-2-oxo-3-(3-trifluoromethyl-phenylmetha...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2cccc(c2)C(F)(F)F)c(=O)n1CC(=O)NCC1CCc2[nH]ncc2C1 Show InChI InChI=1S/C24H26F3N5O4S/c1-15-5-7-21(31-37(35,36)14-17-3-2-4-19(10-17)24(25,26)27)23(34)32(15)13-22(33)28-11-16-6-8-20-18(9-16)12-29-30-20/h2-5,7,10,12,16,31H,6,8-9,11,13-14H2,1H3,(H,28,33)(H,29,30) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of bovine trypsin. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50147475
(CHEMBL419008 | N-((R)-2-Amino-4,5,6,7-tetrahydro-b...)Show SMILES Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)N[C@@H]1CCc2nc(N)sc2C1 Show InChI InChI=1S/C22H24FN5O4S2/c1-13-2-8-18(27-34(31,32)12-14-3-5-15(23)6-4-14)21(30)28(13)11-20(29)25-16-7-9-17-19(10-16)33-22(24)26-17/h2-6,8,16,27H,7,9-12H2,1H3,(H2,24,26)(H,25,29)/t16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
In vitro inhibition of Coagulation factor Xa. |
Bioorg Med Chem Lett 14: 3251-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.085
BindingDB Entry DOI: 10.7270/Q2RN3792 |
More data for this
Ligand-Target Pair | |
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