Found 16 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)) | BDBM50261591
(3-(Benzyl(2-(4-carbamimidoylbenzyl)-4-methyl-3-oxo...)Show SMILES CN1C(=O)C(Cc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)CC(O)=O Show InChI InChI=1S/C27H26N4O5/c1-30-21-12-11-20(31(24(32)15-25(33)34)16-18-5-3-2-4-6-18)14-22(21)36-23(27(30)35)13-17-7-9-19(10-8-17)26(28)29/h2-12,14,23H,13,15-16H2,1H3,(H3,28,29)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | 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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50261568
(CHEMBL468812 | Methyl 3-(benzyl(2-(4-carbamimidoyl...)Show SMILES COC(=O)CC(=O)N(Cc1ccccc1)c1ccc2N(C)C(=O)C(Cc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C28H28N4O5/c1-31-22-13-12-21(32(25(33)16-26(34)36-2)17-19-6-4-3-5-7-19)15-23(22)37-24(28(31)35)14-18-8-10-20(11-9-18)27(29)30/h3-13,15,24H,14,16-17H2,1-2H3,(H3,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | 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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50261566
(CHEMBL468642 | Ethyl 2-(Benzyl(2-(4-carbamimidoylb...)Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2N(C)C(=O)C(Cc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C28H28N4O5/c1-3-36-28(35)27(34)32(17-19-7-5-4-6-8-19)21-13-14-22-23(16-21)37-24(26(33)31(22)2)15-18-9-11-20(12-10-18)25(29)30/h4-14,16,24H,3,15,17H2,1-2H3,(H3,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60 | 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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50261592
(CHEMBL468340 | Ethyl 4-(benzyl(2-(4-carbamimidoylb...)Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2N(C)C(=O)C(Cc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C30H32N4O5/c1-3-38-28(36)16-15-27(35)34(19-21-7-5-4-6-8-21)23-13-14-24-25(18-23)39-26(30(37)33(24)2)17-20-9-11-22(12-10-20)29(31)32/h4-14,18,26H,3,15-17,19H2,1-2H3,(H3,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.80 | 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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50261593
(4-(Benzyl(2-(4-carbamimidoylbenzyl)-4-methyl-3-oxo...)Show SMILES CN1C(=O)C(Cc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C28H28N4O5/c1-31-22-12-11-21(32(25(33)13-14-26(34)35)17-19-5-3-2-4-6-19)16-23(22)37-24(28(31)36)15-18-7-9-20(10-8-18)27(29)30/h2-12,16,24H,13-15,17H2,1H3,(H3,29,30)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.5 | 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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50261567
(2-(Benzyl(2-(4-carbamimidoylbenzyl)-4-methyl-3-oxo...)Show SMILES CN1C(=O)C(Cc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C26H24N4O5/c1-29-20-12-11-19(30(25(32)26(33)34)15-17-5-3-2-4-6-17)14-21(20)35-22(24(29)31)13-16-7-9-18(10-8-16)23(27)28/h2-12,14,22H,13,15H2,1H3,(H3,27,28)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | 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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50261592
(CHEMBL468340 | Ethyl 4-(benzyl(2-(4-carbamimidoylb...)Show SMILES CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2N(C)C(=O)C(Cc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C30H32N4O5/c1-3-38-28(36)16-15-27(35)34(19-21-7-5-4-6-8-21)23-13-14-24-25(18-23)39-26(30(37)33(24)2)17-20-9-11-22(12-10-20)29(31)32/h4-14,18,26H,3,15-17,19H2,1-2H3,(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
| 1.05E+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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50261566
(CHEMBL468642 | Ethyl 2-(Benzyl(2-(4-carbamimidoylb...)Show SMILES CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2N(C)C(=O)C(Cc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C28H28N4O5/c1-3-36-28(35)27(34)32(17-19-7-5-4-6-8-19)21-13-14-22-23(16-21)37-24(26(33)31(22)2)15-18-9-11-20(12-10-18)25(29)30/h4-14,16,24H,3,15,17H2,1-2H3,(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
| 1.94E+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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50261624
(CHEMBL466529 | Methyl 2-benzyl-3-(2-(4-carbamimido...)Show SMILES COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(C)C(=O)C(Cc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C28H28N4O5/c1-32-22-13-12-20(31-26(33)21(28(35)36-2)14-17-6-4-3-5-7-17)16-23(22)37-24(27(32)34)15-18-8-10-19(11-9-18)25(29)30/h3-13,16,21,24H,14-15H2,1-2H3,(H3,29,30)(H,31,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.73E+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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50261625
(2-Benzyl-3-(2-(4-carbamimidoylbenzyl)-4-methyl-3-o...)Show SMILES CN1C(=O)C(Cc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)C(Cc3ccccc3)C(O)=O)ccc12 Show InChI InChI=1S/C27H26N4O5/c1-31-21-12-11-19(30-25(32)20(27(34)35)13-16-5-3-2-4-6-16)15-22(21)36-23(26(31)33)14-17-7-9-18(10-8-17)24(28)29/h2-12,15,20,23H,13-14H2,1H3,(H3,28,29)(H,30,32)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.94E+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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50261568
(CHEMBL468812 | Methyl 3-(benzyl(2-(4-carbamimidoyl...)Show SMILES COC(=O)CC(=O)N(Cc1ccccc1)c1ccc2N(C)C(=O)C(Cc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C28H28N4O5/c1-31-22-13-12-21(32(25(33)16-26(34)36-2)17-19-6-4-3-5-7-19)15-23(22)37-24(28(31)35)14-18-8-10-20(11-9-18)27(29)30/h3-13,15,24H,14,16-17H2,1-2H3,(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
| 5.71E+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
Inhibition of factor 10a (unknown origin) |
J Med Chem 51: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50261567
(2-(Benzyl(2-(4-carbamimidoylbenzyl)-4-methyl-3-oxo...)Show SMILES CN1C(=O)C(Cc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)C(O)=O Show InChI InChI=1S/C26H24N4O5/c1-29-20-12-11-19(30(25(32)26(33)34)15-17-5-3-2-4-6-17)14-21(20)35-22(24(29)31)13-16-7-9-18(10-8-16)23(27)28/h2-12,14,22H,13,15H2,1H3,(H3,27,28)(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
| 9.27E+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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50261593
(4-(Benzyl(2-(4-carbamimidoylbenzyl)-4-methyl-3-oxo...)Show SMILES CN1C(=O)C(Cc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)CCC(O)=O Show InChI InChI=1S/C28H28N4O5/c1-31-22-12-11-21(32(25(33)13-14-26(34)35)17-19-5-3-2-4-6-19)16-23(22)37-24(28(31)36)15-18-7-9-20(10-8-18)27(29)30/h2-12,16,24H,13-15,17H2,1H3,(H3,29,30)(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.59E+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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50261625
(2-Benzyl-3-(2-(4-carbamimidoylbenzyl)-4-methyl-3-o...)Show SMILES CN1C(=O)C(Cc2ccc(cc2)C(N)=N)Oc2cc(NC(=O)C(Cc3ccccc3)C(O)=O)ccc12 Show InChI InChI=1S/C27H26N4O5/c1-31-21-12-11-19(30-25(32)20(27(34)35)13-16-5-3-2-4-6-16)15-22(21)36-23(26(31)33)14-17-7-9-18(10-8-17)24(28)29/h2-12,15,20,23H,13-14H2,1H3,(H3,28,29)(H,30,32)(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.32E+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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50261624
(CHEMBL466529 | Methyl 2-benzyl-3-(2-(4-carbamimido...)Show SMILES COC(=O)C(Cc1ccccc1)C(=O)Nc1ccc2N(C)C(=O)C(Cc3ccc(cc3)C(N)=N)Oc2c1 Show InChI InChI=1S/C28H28N4O5/c1-32-22-13-12-20(31-26(33)21(28(35)36-2)14-17-6-4-3-5-7-17)16-23(22)37-24(27(32)34)15-18-8-10-19(11-9-18)25(29)30/h3-13,16,21,24H,14-15H2,1-2H3,(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
Similars
| Article
PubMed
| 5.87E+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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50261591
(3-(Benzyl(2-(4-carbamimidoylbenzyl)-4-methyl-3-oxo...)Show SMILES CN1C(=O)C(Cc2ccc(cc2)C(N)=N)Oc2cc(ccc12)N(Cc1ccccc1)C(=O)CC(O)=O Show InChI InChI=1S/C27H26N4O5/c1-30-21-12-11-20(31(24(32)15-25(33)34)16-18-5-3-2-4-6-18)14-22(21)36-23(27(30)35)13-17-7-9-19(10-8-17)26(28)29/h2-12,14,23H,13,15-16H2,1H3,(H3,28,29)(H,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.39E+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: 2863-7 (2008)
Article DOI: 10.1021/jm701622y
BindingDB Entry DOI: 10.7270/Q23B5ZW4 |
More data for this
Ligand-Target Pair | |
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