Found 8 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 |
|---|
Coagulation factor X
(Homo sapiens (Human)) | BDBM50359552
(CHEMBL1927307)Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(C)=O |r,t:36| Show InChI InChI=1S/C38H51N7O7/c1-4-23(2)35-37(51)42-28(18-25-10-13-30(47)14-11-25)12-15-33(48)40-22-31(41-24(3)46)38(52)45-16-6-9-32(45)36(50)43-29(20-34(49)44-35)19-26-7-5-8-27(17-26)21-39/h5,7-8,10-15,17,23,28-29,31-32,35,47H,4,6,9,16,18-22,39H2,1-3H3,(H,40,48)(H,41,46)(H,42,51)(H,43,50)(H,44,49)/b15-12+/t23-,28+,29-,31-,32-,35+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bielefeld
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a |
Bioorg Med Chem 19: 7236-43 (2011)
Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50359553
(CHEMBL1927450)Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CCCCCN |r,t:36| Show InChI InChI=1S/C42H60N8O7/c1-3-27(2)39-41(56)46-31(22-28-13-16-33(51)17-14-28)15-18-36(52)45-26-34(48-37(53)12-5-4-6-19-43)42(57)50-20-8-11-35(50)40(55)47-32(24-38(54)49-39)23-29-9-7-10-30(21-29)25-44/h7,9-10,13-18,21,27,31-32,34-35,39,51H,3-6,8,11-12,19-20,22-26,43-44H2,1-2H3,(H,45,52)(H,46,56)(H,47,55)(H,48,53)(H,49,54)/b18-15+/t27-,31+,32-,34-,35-,39+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bielefeld
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem 19: 7236-43 (2011)
Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50359553
(CHEMBL1927450)Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CCCCCN |r,t:36| Show InChI InChI=1S/C42H60N8O7/c1-3-27(2)39-41(56)46-31(22-28-13-16-33(51)17-14-28)15-18-36(52)45-26-34(48-37(53)12-5-4-6-19-43)42(57)50-20-8-11-35(50)40(55)47-32(24-38(54)49-39)23-29-9-7-10-30(21-29)25-44/h7,9-10,13-18,21,27,31-32,34-35,39,51H,3-6,8,11-12,19-20,22-26,43-44H2,1-2H3,(H,45,52)(H,46,56)(H,47,55)(H,48,53)(H,49,54)/b18-15+/t27-,31+,32-,34-,35-,39+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bielefeld
Curated by ChEMBL
| Assay Description
Inhibition of factor 10a |
Bioorg Med Chem 19: 7236-43 (2011)
Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50359552
(CHEMBL1927307)Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(C)=O |r,t:36| Show InChI InChI=1S/C38H51N7O7/c1-4-23(2)35-37(51)42-28(18-25-10-13-30(47)14-11-25)12-15-33(48)40-22-31(41-24(3)46)38(52)45-16-6-9-32(45)36(50)43-29(20-34(49)44-35)19-26-7-5-8-27(17-26)21-39/h5,7-8,10-15,17,23,28-29,31-32,35,47H,4,6,9,16,18-22,39H2,1-3H3,(H,40,48)(H,41,46)(H,42,51)(H,43,50)(H,44,49)/b15-12+/t23-,28+,29-,31-,32-,35+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bielefeld
Curated by ChEMBL
| Assay Description
Inhibition of thrombin |
Bioorg Med Chem 19: 7236-43 (2011)
Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50359553
(CHEMBL1927450)Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CCCCCN |r,t:36| Show InChI InChI=1S/C42H60N8O7/c1-3-27(2)39-41(56)46-31(22-28-13-16-33(51)17-14-28)15-18-36(52)45-26-34(48-37(53)12-5-4-6-19-43)42(57)50-20-8-11-35(50)40(55)47-32(24-38(54)49-39)23-29-9-7-10-30(21-29)25-44/h7,9-10,13-18,21,27,31-32,34-35,39,51H,3-6,8,11-12,19-20,22-26,43-44H2,1-2H3,(H,45,52)(H,46,56)(H,47,55)(H,48,53)(H,49,54)/b18-15+/t27-,31+,32-,34-,35-,39+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bielefeld
Curated by ChEMBL
| Assay Description
Inhibition of tissue kallikrein |
Bioorg Med Chem 19: 7236-43 (2011)
Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG |
More data for this
Ligand-Target Pair | |
Kallikrein-1
(Homo sapiens (Human)) | BDBM50359552
(CHEMBL1927307)Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(C)=O |r,t:36| Show InChI InChI=1S/C38H51N7O7/c1-4-23(2)35-37(51)42-28(18-25-10-13-30(47)14-11-25)12-15-33(48)40-22-31(41-24(3)46)38(52)45-16-6-9-32(45)36(50)43-29(20-34(49)44-35)19-26-7-5-8-27(17-26)21-39/h5,7-8,10-15,17,23,28-29,31-32,35,47H,4,6,9,16,18-22,39H2,1-3H3,(H,40,48)(H,41,46)(H,42,51)(H,43,50)(H,44,49)/b15-12+/t23-,28+,29-,31-,32-,35+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.80E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bielefeld
Curated by ChEMBL
| Assay Description
Inhibition of tissue kallikrein |
Bioorg Med Chem 19: 7236-43 (2011)
Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50359553
(CHEMBL1927450)Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CCCCCN |r,t:36| Show InChI InChI=1S/C42H60N8O7/c1-3-27(2)39-41(56)46-31(22-28-13-16-33(51)17-14-28)15-18-36(52)45-26-34(48-37(53)12-5-4-6-19-43)42(57)50-20-8-11-35(50)40(55)47-32(24-38(54)49-39)23-29-9-7-10-30(21-29)25-44/h7,9-10,13-18,21,27,31-32,34-35,39,51H,3-6,8,11-12,19-20,22-26,43-44H2,1-2H3,(H,45,52)(H,46,56)(H,47,55)(H,48,53)(H,49,54)/b18-15+/t27-,31+,32-,34-,35-,39+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bielefeld
Curated by ChEMBL
| Assay Description
Inhibition of plasma kallikrein |
Bioorg Med Chem 19: 7236-43 (2011)
Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG |
More data for this
Ligand-Target Pair | |
Plasma kallikrein
(Homo sapiens (Human)) | BDBM50359552
(CHEMBL1927307)Show SMILES CC[C@H](C)[C@H]1NC(=O)C[C@H](Cc2cccc(CN)c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC1=O)NC(C)=O |r,t:36| Show InChI InChI=1S/C38H51N7O7/c1-4-23(2)35-37(51)42-28(18-25-10-13-30(47)14-11-25)12-15-33(48)40-22-31(41-24(3)46)38(52)45-16-6-9-32(45)36(50)43-29(20-34(49)44-35)19-26-7-5-8-27(17-26)21-39/h5,7-8,10-15,17,23,28-29,31-32,35,47H,4,6,9,16,18-22,39H2,1-3H3,(H,40,48)(H,41,46)(H,42,51)(H,43,50)(H,44,49)/b15-12+/t23-,28+,29-,31-,32-,35+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t Bielefeld
Curated by ChEMBL
| Assay Description
Inhibition of plasma kallikrein |
Bioorg Med Chem 19: 7236-43 (2011)
Article DOI: 10.1016/j.bmc.2011.09.050
BindingDB Entry DOI: 10.7270/Q2KD1ZBG |
More data for this
Ligand-Target Pair | |
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