Found 27 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)) | BDBM50073429
(CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50081158
(2-((R)-3-Amino-3-benzyl-2-oxo-piperidin-1-yl)-N-((...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H30N6O3/c21-19(22)26-11-4-8-15(17(26)28)24-16(27)13-25-10-5-9-20(23,18(25)29)12-14-6-2-1-3-7-14/h1-3,6-7,15,17,28H,4-5,8-13,23H2,(H3,21,22)(H,24,27)/t15-,17?,20+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50071693
(CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50290248
(2-((R)-3-Amino-3-benzyl-2-oxo-azepan-1-yl)-N-((S)-...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O3/c22-20(23)27-12-6-9-16(18(27)29)25-17(28)14-26-11-5-4-10-21(24,19(26)30)13-15-7-2-1-3-8-15/h1-3,7-8,16,18,29H,4-6,9-14,24H2,(H3,22,23)(H,25,28)/t16-,18?,21+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50073429
(CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor X |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50290242
(2-(3-Benzyl-3-methanesulfonylamino-2-oxo-piperidin...)Show SMILES CS(=O)(=O)NC1(Cc2ccccc2)CCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O Show InChI InChI=1S/C21H32N6O5S/c1-33(31,32)25-21(13-15-7-3-2-4-8-15)10-6-11-26(19(21)30)14-17(28)24-16-9-5-12-27(18(16)29)20(22)23/h2-4,7-8,16,18,25,29H,5-6,9-14H2,1H3,(H3,22,23)(H,24,28)/t16-,18?,21?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50290242
(2-(3-Benzyl-3-methanesulfonylamino-2-oxo-piperidin...)Show SMILES CS(=O)(=O)NC1(Cc2ccccc2)CCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O Show InChI InChI=1S/C21H32N6O5S/c1-33(31,32)25-21(13-15-7-3-2-4-8-15)10-6-11-26(19(21)30)14-17(28)24-16-9-5-12-27(18(16)29)20(22)23/h2-4,7-8,16,18,25,29H,5-6,9-14H2,1H3,(H3,22,23)(H,24,28)/t16-,18?,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50290243
(CHEMBL431782 | N-((S)-1-Carbamimidoyl-2-hydroxy-pi...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C19H28N6O5S/c20-19(21)25-9-4-7-14(18(25)28)22-16(26)11-24-10-8-15(17(24)27)23-31(29,30)12-13-5-2-1-3-6-13/h1-3,5-6,14-15,18,23,28H,4,7-12H2,(H3,20,21)(H,22,26)/t14-,15?,18?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50290244
(2-((S)-3-Amino-3-benzyl-2-oxo-piperidin-1-yl)-N-((...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H30N6O3/c21-19(22)26-11-4-8-15(17(26)28)24-16(27)13-25-10-5-9-20(23,18(25)29)12-14-6-2-1-3-7-14/h1-3,6-7,15,17,28H,4-5,8-13,23H2,(H3,21,22)(H,24,27)/t15-,17?,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50081158
(2-((R)-3-Amino-3-benzyl-2-oxo-piperidin-1-yl)-N-((...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H30N6O3/c21-19(22)26-11-4-8-15(17(26)28)24-16(27)13-25-10-5-9-20(23,18(25)29)12-14-6-2-1-3-7-14/h1-3,6-7,15,17,28H,4-5,8-13,23H2,(H3,21,22)(H,24,27)/t15-,17?,20+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50073429
(CHEMBL82032 | CHEMBL84575 | N-((S)-1-Carbamimidoyl...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 152 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50290249
(2-((S)-3-Amino-3-benzyl-2-oxo-azepan-1-yl)-N-((S)-...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O3/c22-20(23)27-12-6-9-16(18(27)29)25-17(28)14-26-11-5-4-10-21(24,19(26)30)13-15-7-2-1-3-8-15/h1-3,7-8,16,18,29H,4-6,9-14,24H2,(H3,22,23)(H,25,28)/t16-,18?,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50290246
(CHEMBL80128 | {3-Benzyl-1-[((S)-1-carbamimidoyl-2-...)Show SMILES COC(=O)NC1(Cc2ccccc2)CCCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O Show InChI InChI=1S/C23H34N6O5/c1-34-22(33)27-23(14-16-8-3-2-4-9-16)11-5-6-12-28(20(23)32)15-18(30)26-17-10-7-13-29(19(17)31)21(24)25/h2-4,8-9,17,19,31H,5-7,10-15H2,1H3,(H3,24,25)(H,26,30)(H,27,33)/t17-,19?,23?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 466 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50290243
(CHEMBL431782 | N-((S)-1-Carbamimidoyl-2-hydroxy-pi...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C19H28N6O5S/c20-19(21)25-9-4-7-14(18(25)28)22-16(26)11-24-10-8-15(17(24)27)23-31(29,30)12-13-5-2-1-3-6-13/h1-3,5-6,14-15,18,23,28H,4,7-12H2,(H3,20,21)(H,22,26)/t14-,15?,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 538 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50290248
(2-((R)-3-Amino-3-benzyl-2-oxo-azepan-1-yl)-N-((S)-...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O3/c22-20(23)27-12-6-9-16(18(27)29)25-17(28)14-26-11-5-4-10-21(24,19(26)30)13-15-7-2-1-3-8-15/h1-3,7-8,16,18,29H,4-6,9-14,24H2,(H3,22,23)(H,25,28)/t16-,18?,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 969 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50071693
(CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50290245
(2-((S)-3-Amino-3-benzyl-2-oxo-pyrrolidin-1-yl)-N-(...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CC[C@@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C19H28N6O3/c20-18(21)25-9-4-7-14(16(25)27)23-15(26)12-24-10-8-19(22,17(24)28)11-13-5-2-1-3-6-13/h1-3,5-6,14,16,27H,4,7-12,22H2,(H3,20,21)(H,23,26)/t14-,16?,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor II |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50290245
(2-((S)-3-Amino-3-benzyl-2-oxo-pyrrolidin-1-yl)-N-(...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CC[C@@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C19H28N6O3/c20-18(21)25-9-4-7-14(16(25)27)23-15(26)12-24-10-8-19(22,17(24)28)11-13-5-2-1-3-6-13/h1-3,5-6,14,16,27H,4,7-12,22H2,(H3,20,21)(H,23,26)/t14-,16?,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50290246
(CHEMBL80128 | {3-Benzyl-1-[((S)-1-carbamimidoyl-2-...)Show SMILES COC(=O)NC1(Cc2ccccc2)CCCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O Show InChI InChI=1S/C23H34N6O5/c1-34-22(33)27-23(14-16-8-3-2-4-9-16)11-5-6-12-28(20(23)32)15-18(30)26-17-10-7-13-29(19(17)31)21(24)25/h2-4,8-9,17,19,31H,5-7,10-15H2,1H3,(H3,24,25)(H,26,30)(H,27,33)/t17-,19?,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor X |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50290243
(CHEMBL431782 | N-((S)-1-Carbamimidoyl-2-hydroxy-pi...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC(NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C19H28N6O5S/c20-19(21)25-9-4-7-14(18(25)28)22-16(26)11-24-10-8-15(17(24)27)23-31(29,30)12-13-5-2-1-3-6-13/h1-3,5-6,14-15,18,23,28H,4,7-12H2,(H3,20,21)(H,22,26)/t14-,15?,18?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor X |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50290245
(2-((S)-3-Amino-3-benzyl-2-oxo-pyrrolidin-1-yl)-N-(...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CC[C@@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C19H28N6O3/c20-18(21)25-9-4-7-14(16(25)27)23-15(26)12-24-10-8-19(22,17(24)28)11-13-5-2-1-3-6-13/h1-3,5-6,14,16,27H,4,7-12,22H2,(H3,20,21)(H,23,26)/t14-,16?,19+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor X |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50290246
(CHEMBL80128 | {3-Benzyl-1-[((S)-1-carbamimidoyl-2-...)Show SMILES COC(=O)NC1(Cc2ccccc2)CCCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O Show InChI InChI=1S/C23H34N6O5/c1-34-22(33)27-23(14-16-8-3-2-4-9-16)11-5-6-12-28(20(23)32)15-18(30)26-17-10-7-13-29(19(17)31)21(24)25/h2-4,8-9,17,19,31H,5-7,10-15H2,1H3,(H3,24,25)(H,26,30)(H,27,33)/t17-,19?,23?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50290249
(2-((S)-3-Amino-3-benzyl-2-oxo-azepan-1-yl)-N-((S)-...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O3/c22-20(23)27-12-6-9-16(18(27)29)25-17(28)14-26-11-5-4-10-21(24,19(26)30)13-15-7-2-1-3-8-15/h1-3,7-8,16,18,29H,4-6,9-14,24H2,(H3,22,23)(H,25,28)/t16-,18?,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50290242
(2-(3-Benzyl-3-methanesulfonylamino-2-oxo-piperidin...)Show SMILES CS(=O)(=O)NC1(Cc2ccccc2)CCCN(CC(=O)N[C@H]2CCCN(C2O)C(N)=N)C1=O Show InChI InChI=1S/C21H32N6O5S/c1-33(31,32)25-21(13-15-7-3-2-4-8-15)10-6-11-26(19(21)30)14-17(28)24-16-9-5-12-27(18(16)29)20(22)23/h2-4,7-8,16,18,25,29H,5-6,9-14H2,1H3,(H3,22,23)(H,24,28)/t16-,18?,21?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor X |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50071693
(CHEMBL38927 | CVS-1578 | N-((S)-1-Carbamimidoyl-2-...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H30N6O5S/c21-20(22)26-11-5-8-15(19(26)29)23-17(27)12-25-10-4-9-16(18(25)28)24-32(30,31)13-14-6-2-1-3-7-14/h1-3,6-7,15-16,19,24,29H,4-5,8-13H2,(H3,21,22)(H,23,27)/t15-,16-,19?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor X |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50290244
(2-((S)-3-Amino-3-benzyl-2-oxo-piperidin-1-yl)-N-((...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCC[C@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C20H30N6O3/c21-19(22)26-11-4-8-15(17(26)28)24-16(27)13-25-10-5-9-20(23,18(25)29)12-14-6-2-1-3-7-14/h1-3,6-7,15,17,28H,4-5,8-13,23H2,(H3,21,22)(H,24,27)/t15-,17?,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against human trypsin |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50290248
(2-((R)-3-Amino-3-benzyl-2-oxo-azepan-1-yl)-N-((S)-...)Show SMILES NC(=N)N1CCC[C@H](NC(=O)CN2CCCC[C@@](N)(Cc3ccccc3)C2=O)C1O Show InChI InChI=1S/C21H32N6O3/c22-20(23)27-12-6-9-16(18(27)29)25-17(28)14-26-11-5-4-10-21(24,19(26)30)13-15-7-2-1-3-8-15/h1-3,7-8,16,18,29H,4-6,9-14,24H2,(H3,22,23)(H,25,28)/t16-,18?,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The compound was tested in vitro for inhibitory activity against Coagulation factor X |
Bioorg Med Chem Lett 7: 2421-2426 (1997)
Article DOI: 10.1016/S0960-894X(97)00446-0
BindingDB Entry DOI: 10.7270/Q2X92B91 |
More data for this
Ligand-Target Pair | |
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