Found 70 hits of Enzyme Inhibition Constant Data 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)) | BDBM50253900
(CHEMBL468464 | Ethyl 4-({2-[(4-carbamimidoylphenox...)Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccn1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C30H35N5O5/c1-4-38-28(37)15-14-27(36)35(18-22-7-5-6-16-33-22)23-10-13-25-26(17-23)40-30(2,19-34(25)3)20-39-24-11-8-21(9-12-24)29(31)32/h5-13,16-17H,4,14-15,18-20H2,1-3H3,(H3,31,32) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253860
(CHEMBL513670 | Ethyl 4-(Benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-26-27(18-24)40-31(2,20-34(26)3)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33) | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253817
(CHEMBL460144 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31) | PDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253932
(CHEMBL459318 | Ethyl 2-(N-{2-[(4-carbamimidoylphen...)Show SMILES CCOC(=O)CN(C(=O)c1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-26(34)17-33(28(35)21-8-6-5-7-9-21)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-20(11-14-23)27(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31) | PDB
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| 156 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253858
(CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31) | PDB
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| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253818
(2-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C27H28N4O5/c1-27(17-35-21-11-8-19(9-12-21)24(28)29)16-30(2)22-13-10-20(14-23(22)36-27)31(25(32)26(33)34)15-18-6-4-3-5-7-18/h3-14H,15-17H2,1-2H3,(H3,28,29)(H,33,34) | PDB
UniProtKB/SwissProt
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| 377 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253780
(CHEMBL517875 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CN(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H34N4O4/c1-4-35-27(34)18-33(17-21-8-6-5-7-9-21)23-12-15-25-26(16-23)37-29(2,19-32(25)3)20-36-24-13-10-22(11-14-24)28(30)31/h5-16H,4,17-20H2,1-3H3,(H3,30,31) | PDB
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PC cid
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| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253898
(4-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C29H32N4O5/c1-29(19-37-23-11-8-21(9-12-23)28(30)31)18-32(2)24-13-10-22(16-25(24)38-29)33(26(34)14-15-27(35)36)17-20-6-4-3-5-7-20/h3-13,16H,14-15,17-19H2,1-2H3,(H3,30,31)(H,35,36) | PDB
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| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253899
(CHEMBL512630 | Ethyl 4-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-27-26(18-24)34(3)20-31(2,40-27)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33) | PDB
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PC cid
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| 670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253859
(2-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C27H28N4O5/c1-27(17-35-21-11-8-19(9-12-21)24(28)29)16-30(2)22-14-20(10-13-23(22)36-27)31(25(32)26(33)34)15-18-6-4-3-5-7-18/h3-14H,15-17H2,1-2H3,(H3,28,29)(H,33,34) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
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PubMed
| 879 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253816
(CHEMBL460143 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CN(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H34N4O4/c1-4-35-27(34)18-33(17-21-8-6-5-7-9-21)23-12-15-26-25(16-23)32(3)19-29(2,37-26)20-36-24-13-10-22(11-14-24)28(30)31/h5-16H,4,17-20H2,1-3H3,(H3,30,31) | PDB
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| 1.74E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253777
(2-[2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-N-p...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)N(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C26H24N4O6/c1-29-20-12-11-18(24(33)30(14-22(31)32)19-5-3-2-4-6-19)13-21(20)36-26(25(29)34)35-15-16-7-9-17(10-8-16)23(27)28/h2-13,26H,14-15H2,1H3,(H3,27,28)(H,31,32) | PDB
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| 1.76E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253780
(CHEMBL517875 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CN(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H34N4O4/c1-4-35-27(34)18-33(17-21-8-6-5-7-9-21)23-12-15-25-26(16-23)37-29(2,19-32(25)3)20-36-24-13-10-22(11-14-24)28(30)31/h5-16H,4,17-20H2,1-3H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| 2.67E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253933
(CHEMBL459524 | Methyl 2-benzyl-3-{2-[(4-carbamimid...)Show SMILES COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-29(18-37-22-12-9-20(10-13-22)26(30)31)17-33(2)24-14-11-21(16-25(24)38-29)32-27(34)23(28(35)36-3)15-19-7-5-4-6-8-19/h4-14,16,23H,15,17-18H2,1-3H3,(H3,30,31)(H,32,34) | PDB
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| 2.86E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253682
((S)-3-{[2-(4-Carbamimidoyl-benzyloxy)-4-methyl-3-o...)Show SMILES CCOC(=O)C[C@H](NC(=O)c1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O6/c1-3-37-25(34)16-22(19-7-5-4-6-8-19)32-27(35)21-13-14-23-24(15-21)39-29(28(36)33(23)2)38-17-18-9-11-20(12-10-18)26(30)31/h4-15,22,29H,3,16-17H2,1-2H3,(H3,30,31)(H,32,35)/t22-,29?/m0/s1 | PDB
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| 3.70E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253718
(CHEMBL461192 | Ethyl 2-[2-(4-carbamimidoylbenzylox...)Show SMILES CCOC(=O)CN(C(=O)c1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 Show InChI InChI=1S/C28H28N4O6/c1-3-36-24(33)16-32(21-7-5-4-6-8-21)26(34)20-13-14-22-23(15-20)38-28(27(35)31(22)2)37-17-18-9-11-19(12-10-18)25(29)30/h4-15,28H,3,16-17H2,1-2H3,(H3,29,30) | PDB
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| 3.98E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253310
(CHEMBL494513 | Ethyl 2-benzyl-3-{2-[(4-carbamimido...)Show SMILES CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C30H34N4O5/c1-4-37-29(36)24(16-20-8-6-5-7-9-20)28(35)33-22-12-15-26-25(17-22)34(3)18-30(2,39-26)19-38-23-13-10-21(11-14-23)27(31)32/h5-15,17,24H,4,16,18-19H2,1-3H3,(H3,31,32)(H,33,35) | PDB
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| 4.93E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253311
(CHEMBL494514 | N-{2-[(4-Carbamimidoylphenoxy)methy...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C25H26N4O3/c1-25(16-31-20-11-8-17(9-12-20)23(26)27)15-29(2)21-13-10-19(14-22(21)32-25)28-24(30)18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H3,26,27)(H,28,30) | PDB
UniProtKB/SwissProt
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Similars
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PubMed
| 5.00E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253313
(4-{2-[(4-Carbamimidoylphenoxy)methyl]-2,4-dimethyl...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)CCC(O)=O)ccc12 Show InChI InChI=1S/C22H26N4O5/c1-22(13-30-16-6-3-14(4-7-16)21(23)24)12-26(2)17-8-5-15(11-18(17)31-22)25-19(27)9-10-20(28)29/h3-8,11H,9-10,12-13H2,1-2H3,(H3,23,24)(H,25,27)(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.16E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253934
(2-Benzyl-3-{2-[(4-carbamimidoylphenoxy)methyl]-2,4...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)C(Cc3ccccc3)C(O)=O)ccc12 Show InChI InChI=1S/C28H30N4O5/c1-28(17-36-21-11-8-19(9-12-21)25(29)30)16-32(2)23-13-10-20(15-24(23)37-28)31-26(33)22(27(34)35)14-18-6-4-3-5-7-18/h3-13,15,22H,14,16-17H2,1-2H3,(H3,29,30)(H,31,33)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.50E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253932
(CHEMBL459318 | Ethyl 2-(N-{2-[(4-carbamimidoylphen...)Show SMILES CCOC(=O)CN(C(=O)c1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-26(34)17-33(28(35)21-8-6-5-7-9-21)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-20(11-14-23)27(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.59E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253717
(CHEMBL461191 | Ethyl 3-[2-(4-Carbamimidoylbenzylox...)Show SMILES CCOC(=O)C(C(=O)Nc1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 Show InChI InChI=1S/C28H28N4O6/c1-3-36-27(35)23(18-7-5-4-6-8-18)25(33)31-20-13-14-21-22(15-20)38-28(26(34)32(21)2)37-16-17-9-11-19(12-10-17)24(29)30/h4-15,23,28H,3,16H2,1-2H3,(H3,29,30)(H,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
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PC cid
PC sid
UniChem
| Article
PubMed
| 9.89E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253900
(CHEMBL468464 | Ethyl 4-({2-[(4-carbamimidoylphenox...)Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccn1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C30H35N5O5/c1-4-38-28(37)15-14-27(36)35(18-22-7-5-6-16-33-22)23-10-13-25-26(17-23)40-30(2,19-34(25)3)20-39-24-11-8-21(9-12-24)29(31)32/h5-13,16-17H,4,14-15,18-20H2,1-3H3,(H3,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.18E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253816
(CHEMBL460143 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CN(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H34N4O4/c1-4-35-27(34)18-33(17-21-8-6-5-7-9-21)23-12-15-26-25(16-23)32(3)19-29(2,37-26)20-36-24-13-10-22(11-14-24)28(30)31/h5-16H,4,17-20H2,1-3H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.19E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253311
(CHEMBL494514 | N-{2-[(4-Carbamimidoylphenoxy)methy...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C25H26N4O3/c1-25(16-31-20-11-8-17(9-12-20)23(26)27)15-29(2)21-13-10-19(14-22(21)32-25)28-24(30)18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H3,26,27)(H,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.21E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253716
((S)-3-{[2-(4-Carbamimidoyl-benzyloxy)-4-methyl-3-o...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)N[C@@H](CC(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C27H26N4O6/c1-31-21-12-11-19(25(34)30-20(14-23(32)33)17-5-3-2-4-6-17)13-22(21)37-27(26(31)35)36-15-16-7-9-18(10-8-16)24(28)29/h2-13,20,27H,14-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33)/t20-,27?/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.49E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253858
(CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253818
(2-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C27H28N4O5/c1-27(17-35-21-11-8-19(9-12-21)24(28)29)16-30(2)22-13-10-20(14-23(22)36-27)31(25(32)26(33)34)15-18-6-4-3-5-7-18/h3-14H,15-17H2,1-2H3,(H3,28,29)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.66E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253312
(CHEMBL494715 | Ethyl 4-{2-[(4-carbamimidoylphenoxy...)Show SMILES CCOC(=O)CCC(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C24H30N4O5/c1-4-31-22(30)12-11-21(29)27-17-7-10-19-20(13-17)33-24(2,14-28(19)3)15-32-18-8-5-16(6-9-18)23(25)26/h5-10,13H,4,11-12,14-15H2,1-3H3,(H3,25,26)(H,27,29) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.69E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253860
(CHEMBL513670 | Ethyl 4-(Benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-26-27(18-24)40-31(2,20-34(26)3)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253778
(2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-N-phen...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H22N4O4/c1-28-19-12-11-17(22(29)27-18-5-3-2-4-6-18)13-20(19)32-24(23(28)30)31-14-15-7-9-16(10-8-15)21(25)26/h2-13,24H,14H2,1H3,(H3,25,26)(H,27,29) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.42E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253899
(CHEMBL512630 | Ethyl 4-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-27-26(18-24)34(3)20-31(2,40-27)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.77E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253310
(CHEMBL494513 | Ethyl 2-benzyl-3-{2-[(4-carbamimido...)Show SMILES CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C30H34N4O5/c1-4-37-29(36)24(16-20-8-6-5-7-9-20)28(35)33-22-12-15-26-25(17-22)34(3)18-30(2,39-26)19-38-23-13-10-21(11-14-23)27(31)32/h5-15,17,24H,4,16,18-19H2,1-3H3,(H3,31,32)(H,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.95E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253898
(4-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C29H32N4O5/c1-29(19-37-23-11-8-21(9-12-23)28(30)31)18-32(2)24-13-10-22(16-25(24)38-29)33(26(34)14-15-27(35)36)17-20-6-4-3-5-7-20/h3-13,16H,14-15,17-19H2,1-2H3,(H3,30,31)(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.97E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253778
(2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-N-phen...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H22N4O4/c1-28-19-12-11-17(22(29)27-18-5-3-2-4-6-18)13-20(19)32-24(23(28)30)31-14-15-7-9-16(10-8-15)21(25)26/h2-13,24H,14H2,1H3,(H3,25,26)(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.16E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253859
(2-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C27H28N4O5/c1-27(17-35-21-11-8-19(9-12-21)24(28)29)16-30(2)22-14-20(10-13-23(22)36-27)31(25(32)26(33)34)15-18-6-4-3-5-7-18/h3-14H,15-17H2,1-2H3,(H3,28,29)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.17E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253313
(4-{2-[(4-Carbamimidoylphenoxy)methyl]-2,4-dimethyl...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)CCC(O)=O)ccc12 Show InChI InChI=1S/C22H26N4O5/c1-22(13-30-16-6-3-14(4-7-16)21(23)24)12-26(2)17-8-5-15(11-18(17)31-22)25-19(27)9-10-20(28)29/h3-8,11H,9-10,12-13H2,1-2H3,(H3,23,24)(H,25,27)(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.38E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253933
(CHEMBL459524 | Methyl 2-benzyl-3-{2-[(4-carbamimid...)Show SMILES COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-29(18-37-22-12-9-20(10-13-22)26(30)31)17-33(2)24-14-11-21(16-25(24)38-29)32-27(34)23(28(35)36-3)15-19-7-5-4-6-8-19/h4-14,16,23H,15,17-18H2,1-3H3,(H3,30,31)(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.54E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253718
(CHEMBL461192 | Ethyl 2-[2-(4-carbamimidoylbenzylox...)Show SMILES CCOC(=O)CN(C(=O)c1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 Show InChI InChI=1S/C28H28N4O6/c1-3-36-24(33)16-32(21-7-5-4-6-8-21)26(34)20-13-14-22-23(15-20)38-28(27(35)31(22)2)37-17-18-9-11-19(12-10-18)25(29)30/h4-15,28H,3,16-17H2,1-2H3,(H3,29,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.31E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253777
(2-[2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-N-p...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)N(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C26H24N4O6/c1-29-20-12-11-18(24(33)30(14-22(31)32)19-5-3-2-4-6-19)13-21(20)36-26(25(29)34)35-15-16-7-9-17(10-8-16)23(27)28/h2-13,26H,14-15H2,1H3,(H3,27,28)(H,31,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.96E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253717
(CHEMBL461191 | Ethyl 3-[2-(4-Carbamimidoylbenzylox...)Show SMILES CCOC(=O)C(C(=O)Nc1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 Show InChI InChI=1S/C28H28N4O6/c1-3-36-27(35)23(18-7-5-4-6-8-18)25(33)31-20-13-14-21-22(15-20)38-28(26(34)32(21)2)37-16-17-9-11-19(12-10-17)24(29)30/h4-15,23,28H,3,16H2,1-2H3,(H3,29,30)(H,31,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 5.03E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253682
((S)-3-{[2-(4-Carbamimidoyl-benzyloxy)-4-methyl-3-o...)Show SMILES CCOC(=O)C[C@H](NC(=O)c1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O6/c1-3-37-25(34)16-22(19-7-5-4-6-8-19)32-27(35)21-13-14-23-24(15-21)39-29(28(36)33(23)2)38-17-18-9-11-20(12-10-18)26(30)31/h4-15,22,29H,3,16-17H2,1-2H3,(H3,30,31)(H,32,35)/t22-,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.46E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253312
(CHEMBL494715 | Ethyl 4-{2-[(4-carbamimidoylphenoxy...)Show SMILES CCOC(=O)CCC(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C24H30N4O5/c1-4-31-22(30)12-11-21(29)27-17-7-10-19-20(13-17)33-24(2,14-28(19)3)15-32-18-8-5-16(6-9-18)23(25)26/h5-10,13H,4,11-12,14-15H2,1-3H3,(H3,25,26)(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.47E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253779
(3-[2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-3,4...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)NCCC(O)=O Show InChI InChI=1S/C21H22N4O6/c1-25-15-7-6-14(19(28)24-9-8-17(26)27)10-16(15)31-21(20(25)29)30-11-12-2-4-13(5-3-12)18(22)23/h2-7,10,21H,8-9,11H2,1H3,(H3,22,23)(H,24,28)(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
| 1.12E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253817
(CHEMBL460144 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.12E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50253779
(3-[2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-3,4...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)NCCC(O)=O Show InChI InChI=1S/C21H22N4O6/c1-25-15-7-6-14(19(28)24-9-8-17(26)27)10-16(15)31-21(20(25)29)30-11-12-2-4-13(5-3-12)18(22)23/h2-7,10,21H,8-9,11H2,1H3,(H3,22,23)(H,24,28)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.18E+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
Inhibition of thrombin (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50253716
((S)-3-{[2-(4-Carbamimidoyl-benzyloxy)-4-methyl-3-o...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)N[C@@H](CC(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C27H26N4O6/c1-31-21-12-11-19(25(34)30-20(14-23(32)33)17-5-3-2-4-6-17)13-22(21)37-27(26(31)35)36-15-16-7-9-18(10-8-16)24(28)29/h2-13,20,27H,14-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33)/t20-,27?/m0/s1 | 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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253816
(CHEMBL460143 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CN(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H34N4O4/c1-4-35-27(34)18-33(17-21-8-6-5-7-9-21)23-12-15-26-25(16-23)32(3)19-29(2,37-26)20-36-24-13-10-22(11-14-24)28(30)31/h5-16H,4,17-20H2,1-3H3,(H3,30,31) | PDB
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253858
(CHEMBL461210 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-25-24(16-22)32(3)18-29(2,38-25)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31) | PDB
KEGG
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DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253780
(CHEMBL517875 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CN(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H34N4O4/c1-4-35-27(34)18-33(17-21-8-6-5-7-9-21)23-12-15-25-26(16-23)37-29(2,19-32(25)3)20-36-24-13-10-22(11-14-24)28(30)31/h5-16H,4,17-20H2,1-3H3,(H3,30,31) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253716
((S)-3-{[2-(4-Carbamimidoyl-benzyloxy)-4-methyl-3-o...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)N[C@@H](CC(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C27H26N4O6/c1-31-21-12-11-19(25(34)30-20(14-23(32)33)17-5-3-2-4-6-17)13-22(21)37-27(26(31)35)36-15-16-7-9-18(10-8-16)24(28)29/h2-13,20,27H,14-15H2,1H3,(H3,28,29)(H,30,34)(H,32,33)/t20-,27?/m0/s1 | PDB
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253313
(4-{2-[(4-Carbamimidoylphenoxy)methyl]-2,4-dimethyl...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)CCC(O)=O)ccc12 Show InChI InChI=1S/C22H26N4O5/c1-22(13-30-16-6-3-14(4-7-16)21(23)24)12-26(2)17-8-5-15(11-18(17)31-22)25-19(27)9-10-20(28)29/h3-8,11H,9-10,12-13H2,1-2H3,(H3,23,24)(H,25,27)(H,28,29) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253932
(CHEMBL459318 | Ethyl 2-(N-{2-[(4-carbamimidoylphen...)Show SMILES CCOC(=O)CN(C(=O)c1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-26(34)17-33(28(35)21-8-6-5-7-9-21)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-20(11-14-23)27(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31) | PDB
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253817
(CHEMBL460144 | Ethyl 2-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-4-36-28(35)27(34)33(17-20-8-6-5-7-9-20)22-12-15-24-25(16-22)38-29(2,18-32(24)3)19-37-23-13-10-21(11-14-23)26(30)31/h5-16H,4,17-19H2,1-3H3,(H3,30,31) | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253717
(CHEMBL461191 | Ethyl 3-[2-(4-Carbamimidoylbenzylox...)Show SMILES CCOC(=O)C(C(=O)Nc1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 Show InChI InChI=1S/C28H28N4O6/c1-3-36-27(35)23(18-7-5-4-6-8-18)25(33)31-20-13-14-21-22(15-20)38-28(26(34)32(21)2)37-16-17-9-11-19(12-10-17)24(29)30/h4-15,23,28H,3,16H2,1-2H3,(H3,29,30)(H,31,33) | PDB
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| n/a | n/a | 2.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253311
(CHEMBL494514 | N-{2-[(4-Carbamimidoylphenoxy)methy...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)c3ccccc3)ccc12 Show InChI InChI=1S/C25H26N4O3/c1-25(16-31-20-11-8-17(9-12-20)23(26)27)15-29(2)21-13-10-19(14-22(21)32-25)28-24(30)18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3,(H3,26,27)(H,28,30) | PDB
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| n/a | n/a | 2.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253933
(CHEMBL459524 | Methyl 2-benzyl-3-{2-[(4-carbamimid...)Show SMILES COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C29H32N4O5/c1-29(18-37-22-12-9-20(10-13-22)26(30)31)17-33(2)24-14-11-21(16-25(24)38-29)32-27(34)23(28(35)36-3)15-19-7-5-4-6-8-19/h4-14,16,23H,15,17-18H2,1-3H3,(H3,30,31)(H,32,34) | PDB
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| n/a | n/a | 9.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253900
(CHEMBL468464 | Ethyl 4-({2-[(4-carbamimidoylphenox...)Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccn1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C30H35N5O5/c1-4-38-28(37)15-14-27(36)35(18-22-7-5-6-16-33-22)23-10-13-25-26(17-23)40-30(2,19-34(25)3)20-39-24-11-8-21(9-12-24)29(31)32/h5-13,16-17H,4,14-15,18-20H2,1-3H3,(H3,31,32) | PDB
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| n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253778
(2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-N-phen...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)Nc1ccccc1 Show InChI InChI=1S/C24H22N4O4/c1-28-19-12-11-17(22(29)27-18-5-3-2-4-6-18)13-20(19)32-24(23(28)30)31-14-15-7-9-16(10-8-15)21(25)26/h2-13,24H,14H2,1H3,(H3,25,26)(H,27,29) | PDB
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| n/a | n/a | 1.21E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253312
(CHEMBL494715 | Ethyl 4-{2-[(4-carbamimidoylphenoxy...)Show SMILES CCOC(=O)CCC(=O)Nc1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C24H30N4O5/c1-4-31-22(30)12-11-21(29)27-17-7-10-19-20(13-17)33-24(2,14-28(19)3)15-32-18-8-5-16(6-9-18)23(25)26/h5-10,13H,4,11-12,14-15H2,1-3H3,(H3,25,26)(H,27,29) | PDB
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| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253779
(3-[2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-3,4...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)NCCC(O)=O Show InChI InChI=1S/C21H22N4O6/c1-25-15-7-6-14(19(28)24-9-8-17(26)27)10-16(15)31-21(20(25)29)30-11-12-2-4-13(5-3-12)18(22)23/h2-7,10,21H,8-9,11H2,1H3,(H3,22,23)(H,24,28)(H,26,27) | PDB
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| n/a | n/a | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253682
((S)-3-{[2-(4-Carbamimidoyl-benzyloxy)-4-methyl-3-o...)Show SMILES CCOC(=O)C[C@H](NC(=O)c1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 |r| Show InChI InChI=1S/C29H30N4O6/c1-3-37-25(34)16-22(19-7-5-4-6-8-19)32-27(35)21-13-14-23-24(15-21)39-29(28(36)33(23)2)38-17-18-9-11-20(12-10-18)26(30)31/h4-15,22,29H,3,16-17H2,1-2H3,(H3,30,31)(H,32,35)/t22-,29?/m0/s1 | PDB
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| n/a | n/a | 2.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253718
(CHEMBL461192 | Ethyl 2-[2-(4-carbamimidoylbenzylox...)Show SMILES CCOC(=O)CN(C(=O)c1ccc2N(C)C(=O)C(OCc3ccc(cc3)C(N)=N)Oc2c1)c1ccccc1 Show InChI InChI=1S/C28H28N4O6/c1-3-36-24(33)16-32(21-7-5-4-6-8-21)26(34)20-13-14-22-23(15-20)38-28(27(35)31(22)2)37-17-18-9-11-19(12-10-18)25(29)30/h4-15,28H,3,16-17H2,1-2H3,(H3,29,30) | PDB
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| n/a | n/a | 2.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253860
(CHEMBL513670 | Ethyl 4-(Benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2N(C)CC(C)(COc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-26-27(18-24)40-31(2,20-34(26)3)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33) | PDB
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| n/a | n/a | 2.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253310
(CHEMBL494513 | Ethyl 2-benzyl-3-{2-[(4-carbamimido...)Show SMILES CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C30H34N4O5/c1-4-37-29(36)24(16-20-8-6-5-7-9-20)28(35)33-22-12-15-26-25(17-22)34(3)18-30(2,39-26)19-38-23-13-10-21(11-14-23)27(31)32/h5-15,17,24H,4,16,18-19H2,1-3H3,(H3,31,32)(H,33,35) | PDB
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| n/a | n/a | 3.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253777
(2-[2-(4-Carbamimidoylbenzyloxy)-4-methyl-3-oxo-N-p...)Show SMILES CN1C(=O)C(OCc2ccc(cc2)C(N)=N)Oc2cc(ccc12)C(=O)N(CC(O)=O)c1ccccc1 Show InChI InChI=1S/C26H24N4O6/c1-29-20-12-11-18(24(33)30(14-22(31)32)19-5-3-2-4-6-19)13-21(20)36-26(25(29)34)35-15-16-7-9-17(10-8-16)23(27)28/h2-13,26H,14-15H2,1H3,(H3,27,28)(H,31,32) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253818
(2-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C27H28N4O5/c1-27(17-35-21-11-8-19(9-12-21)24(28)29)16-30(2)22-13-10-20(14-23(22)36-27)31(25(32)26(33)34)15-18-6-4-3-5-7-18/h3-14H,15-17H2,1-2H3,(H3,28,29)(H,33,34) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253899
(CHEMBL512630 | Ethyl 4-(benzyl{2-[(4-carbamimidoyl...)Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2OC(C)(COc3ccc(cc3)C(N)=N)CN(C)c2c1 Show InChI InChI=1S/C31H36N4O5/c1-4-38-29(37)17-16-28(36)35(19-22-8-6-5-7-9-22)24-12-15-27-26(18-24)34(3)20-31(2,40-27)21-39-25-13-10-23(11-14-25)30(32)33/h5-15,18H,4,16-17,19-21H2,1-3H3,(H3,32,33) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253898
(4-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C29H32N4O5/c1-29(19-37-23-11-8-21(9-12-23)28(30)31)18-32(2)24-13-10-22(16-25(24)38-29)33(26(34)14-15-27(35)36)17-20-6-4-3-5-7-20/h3-13,16H,14-15,17-19H2,1-2H3,(H3,30,31)(H,35,36) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-IIb
(Homo sapiens (Human)) | BDBM50253859
(2-(Benzyl{2-[(4-carbamimidoylphenoxy)methyl]-2,4-d...)Show SMILES CN1CC(C)(COc2ccc(cc2)C(N)=N)Oc2ccc(cc12)N(Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C27H28N4O5/c1-27(17-35-21-11-8-19(9-12-21)24(28)29)16-30(2)22-14-20(10-13-23(22)36-27)31(25(32)26(33)34)15-18-6-4-3-5-7-18/h3-14H,15-17H2,1-2H3,(H3,28,29)(H,33,34) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibition of fibrinogen binding to human platelet GPIIb/IIIa receptor |
J Med Chem 51: 5617-29 (2008)
Article DOI: 10.1021/jm8003448
BindingDB Entry DOI: 10.7270/Q2JQ10TZ |
More data for this
Ligand-Target Pair | |
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