Found 15 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 |
|---|
Serine protease 1
(Homo sapiens (Human)) | BDBM50228840
((S)-1-[(R)-2-(3,3-dimethyl-butyrylamino)-3-phenyl-...)Show SMILES [#6]C([#6])([#6])[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1 Show InChI InChI=1S/C33H43N7O5/c1-33(2,3)20-27(41)37-24(19-21-11-5-4-6-12-21)31(44)40-18-10-15-25(40)29(43)38-23(14-9-17-36-32(34)35)28(42)30-39-22-13-7-8-16-26(22)45-30/h4-8,11-13,16,23-25H,9-10,14-15,17-20H2,1-3H3,(H,37,41)(H,38,43)(H4,34,35,36)/t23-,24+,25-/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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin. |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289436
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2o1 Show InChI InChI=1S/C37H39N7O5/c1-23(45)41-30(21-24-11-3-2-4-12-24)34(47)43-31(22-26-15-9-14-25-13-5-6-16-27(25)26)35(48)42-29(18-10-20-40-37(38)39)33(46)36-44-28-17-7-8-19-32(28)49-36/h2-9,11-17,19,29-31H,10,18,20-22H2,1H3,(H,41,45)(H,42,48)(H,43,47)(H4,38,39,40)/t29-,30+,31-/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 | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin. |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Rattus norvegicus) | BDBM50289436
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2o1 Show InChI InChI=1S/C37H39N7O5/c1-23(45)41-30(21-24-11-3-2-4-12-24)34(47)43-31(22-26-15-9-14-25-13-5-6-16-27(25)26)35(48)42-29(18-10-20-40-37(38)39)33(46)36-44-28-17-7-8-19-32(28)49-36/h2-9,11-17,19,29-31H,10,18,20-22H2,1H3,(H,41,45)(H,42,48)(H,43,47)(H4,38,39,40)/t29-,30+,31-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against plasmin. |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Rattus norvegicus) | BDBM50289434
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C30H36N6O4/c1-19(37)33-25(17-20-9-3-2-4-10-20)27(38)35-26(18-22-13-7-12-21-11-5-6-14-23(21)22)28(39)34-24-15-8-16-36(29(24)40)30(31)32/h2-7,9-14,24-26,29,40H,8,15-18H2,1H3,(H3,31,32)(H,33,37)(H,34,39)(H,35,38)/t24-,25+,26-,29?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | <25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration against plasmin. |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289434
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C30H36N6O4/c1-19(37)33-25(17-20-9-3-2-4-10-20)27(38)35-26(18-22-13-7-12-21-11-5-6-14-23(21)22)28(39)34-24-15-8-16-36(29(24)40)30(31)32/h2-7,9-14,24-26,29,40H,8,15-18H2,1H3,(H3,31,32)(H,33,37)(H,34,39)(H,35,38)/t24-,25+,26-,29?/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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin. |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50228840
((S)-1-[(R)-2-(3,3-dimethyl-butyrylamino)-3-phenyl-...)Show SMILES [#6]C([#6])([#6])[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1 Show InChI InChI=1S/C33H43N7O5/c1-33(2,3)20-27(41)37-24(19-21-11-5-4-6-12-21)31(44)40-18-10-15-25(40)29(43)38-23(14-9-17-36-32(34)35)28(42)30-39-22-13-7-8-16-26(22)45-30/h4-8,11-13,16,23-25H,9-10,14-15,17-20H2,1-3H3,(H,37,41)(H,38,43)(H4,34,35,36)/t23-,24+,25-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against thrombin(FIIa). |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289435
((S)-1-[(R)-2-(3,3-Dimethyl-butyrylamino)-3-phenyl-...)Show SMILES CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C33H44N8O4/c1-33(2,3)20-27(42)37-25(19-21-11-5-4-6-12-21)31(45)41-18-10-16-26(41)30(44)40-24(15-9-17-36-32(34)35)28(43)29-38-22-13-7-8-14-23(22)39-29/h4-8,11-14,24-26H,9-10,15-20H2,1-3H3,(H,37,42)(H,38,39)(H,40,44)(H4,34,35,36)/t24-,25+,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against thrombin(FIIa). |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289433
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C22H32N6O4/c1-14(29)25-17(13-15-7-3-2-4-8-15)21(32)27-11-6-10-18(27)19(30)26-16-9-5-12-28(20(16)31)22(23)24/h2-4,7-8,16-18,20,31H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t16-,17+,18-,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 | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin. |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289433
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C22H32N6O4/c1-14(29)25-17(13-15-7-3-2-4-8-15)21(32)27-11-6-10-18(27)19(30)26-16-9-5-12-28(20(16)31)22(23)24/h2-4,7-8,16-18,20,31H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t16-,17+,18-,20?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 284 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against thrombin(FIIa). |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Serine protease 1
(Homo sapiens (Human)) | BDBM50289435
((S)-1-[(R)-2-(3,3-Dimethyl-butyrylamino)-3-phenyl-...)Show SMILES CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C33H44N8O4/c1-33(2,3)20-27(42)37-25(19-21-11-5-4-6-12-21)31(45)41-18-10-16-26(41)30(44)40-24(15-9-17-36-32(34)35)28(43)29-38-22-13-7-8-14-23(22)39-29/h4-8,11-14,24-26H,9-10,15-20H2,1-3H3,(H,37,42)(H,38,39)(H,40,44)(H4,34,35,36)/t24-,25+,26-/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 | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against trypsin. |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Rattus norvegicus) | BDBM50228840
((S)-1-[(R)-2-(3,3-dimethyl-butyrylamino)-3-phenyl-...)Show SMILES [#6]C([#6])([#6])[#6]-[#6](=O)-[#7]-[#6@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2o1 Show InChI InChI=1S/C33H43N7O5/c1-33(2,3)20-27(41)37-24(19-21-11-5-4-6-12-21)31(44)40-18-10-15-25(40)29(43)38-23(14-9-17-36-32(34)35)28(42)30-39-22-13-7-8-16-26(22)45-30/h4-8,11-13,16,23-25H,9-10,14-15,17-20H2,1-3H3,(H,37,41)(H,38,43)(H4,34,35,36)/t23-,24+,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory concentration of the compound against plasmin. |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289434
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C30H36N6O4/c1-19(37)33-25(17-20-9-3-2-4-10-20)27(38)35-26(18-22-13-7-12-21-11-5-6-14-23(21)22)28(39)34-24-15-8-16-36(29(24)40)30(31)32/h2-7,9-14,24-26,29,40H,8,15-18H2,1H3,(H3,31,32)(H,33,37)(H,34,39)(H,35,38)/t24-,25+,26-,29?/m0/s1 | PDB
UniProtKB/SwissProt
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
Inhibitory concentration of the compound against thrombin(FIIa). |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Rattus norvegicus) | BDBM50289433
((S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrro...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C22H32N6O4/c1-14(29)25-17(13-15-7-3-2-4-8-15)21(32)27-11-6-10-18(27)19(30)26-16-9-5-12-28(20(16)31)22(23)24/h2-4,7-8,16-18,20,31H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)(H,26,30)/t16-,17+,18-,20?/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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
Inhibitory concentration of the compound against plasmin. |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Plasminogen
(Rattus norvegicus) | BDBM50289435
((S)-1-[(R)-2-(3,3-Dimethyl-butyrylamino)-3-phenyl-...)Show SMILES CC(C)(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C33H44N8O4/c1-33(2,3)20-27(42)37-25(19-21-11-5-4-6-12-21)31(45)41-18-10-16-26(41)30(44)40-24(15-9-17-36-32(34)35)28(43)29-38-22-13-7-8-14-23(22)39-29/h4-8,11-14,24-26H,9-10,15-20H2,1-3H3,(H,37,42)(H,38,39)(H,40,44)(H4,34,35,36)/t24-,25+,26-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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
Inhibitory concentration of the compound against plasmin. |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50289436
((S)-2-((R)-2-Acetylamino-3-phenyl-propionylamino)-...)Show SMILES CC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2o1 Show InChI InChI=1S/C37H39N7O5/c1-23(45)41-30(21-24-11-3-2-4-12-24)34(47)43-31(22-26-15-9-14-25-13-5-6-16-27(25)26)35(48)42-29(18-10-20-40-37(38)39)33(46)36-44-28-17-7-8-19-32(28)49-36/h2-9,11-17,19,29-31H,10,18,20-22H2,1H3,(H,41,45)(H,42,48)(H,43,47)(H4,38,39,40)/t29-,30+,31-/m0/s1 | PDB
UniProtKB/SwissProt
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
Inhibitory concentration of the compound against thrombin(FIIa). |
Bioorg Med Chem Lett 7: 1359-1364 (1997)
Article DOI: 10.1016/S0960-894X(97)00227-8
BindingDB Entry DOI: 10.7270/Q2542NM7 |
More data for this
Ligand-Target Pair | |
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