Found 12 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)) | BDBM50422375
(CHEMBL116616)Show SMILES CCc1cc(OCCc2ccc(cc2)C(N)=N)cc(OS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C23H24N2O4S/c1-2-17-14-20(28-13-12-18-8-10-19(11-9-18)23(24)25)16-21(15-17)29-30(26,27)22-6-4-3-5-7-22/h3-11,14-16H,2,12-13H2,1H3,(H3,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422376
(CHEMBL116149)Show SMILES COc1c(Cl)cc(Cl)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(cc2)C(N)=N)c1 Show InChI InChI=1S/C22H20Cl2N2O5S/c1-29-21-19(24)11-16(23)12-20(21)32(27,28)31-18-4-2-3-17(13-18)30-10-9-14-5-7-15(8-6-14)22(25)26/h2-8,11-13H,9-10H2,1H3,(H3,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422368
(CHEMBL117266)Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cc(C)cc(OCCc2ccc(C(N)=N)c(O)c2)c1 Show InChI InChI=1S/C23H24N2O5S/c1-15-4-3-5-20(12-15)31(27,28)30-19-11-16(2)10-18(14-19)29-9-8-17-6-7-21(23(24)25)22(26)13-17/h3-7,10-14,26H,8-9H2,1-2H3,(H3,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422377
(CHEMBL116971)Show SMILES CCc1cc(OCCc2ccc(C(N)=N)c(O)c2)cc(OS(=O)(=O)c2cc(Cl)cc(Cl)c2OC)c1 Show InChI InChI=1S/C24H24Cl2N2O6S/c1-3-14-8-17(33-7-6-15-4-5-19(24(27)28)21(29)10-15)13-18(9-14)34-35(30,31)22-12-16(25)11-20(26)23(22)32-2/h4-5,8-13,29H,3,6-7H2,1-2H3,(H3,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 288 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422369
(CHEMBL114124)Show SMILES COc1ccc(C)cc1S(=O)(=O)Oc1cccc(OCCc2ccc(C(N)=N)c(O)c2)c1 Show InChI InChI=1S/C23H24N2O6S/c1-15-6-9-21(29-2)22(12-15)32(27,28)31-18-5-3-4-17(14-18)30-11-10-16-7-8-19(23(24)25)20(26)13-16/h3-9,12-14,26H,10-11H2,1-2H3,(H3,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 575 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422373
(CHEMBL113711)Show SMILES Cc1cc(OCCc2ccc(CN)c(O)c2)cc(OS(=O)(=O)c2cc(Cl)ccc2Cl)c1 Show InChI InChI=1S/C22H21Cl2NO5S/c1-14-8-18(29-7-6-15-2-3-16(13-25)21(26)10-15)12-19(9-14)30-31(27,28)22-11-17(23)4-5-20(22)24/h2-5,8-12,26H,6-7,13,25H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 933 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422371
(CHEMBL419954)Show SMILES Cc1cc(OCCc2ccc(CN)cc2)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1 Show InChI InChI=1S/C22H21Cl2NO4S/c1-15-11-18(28-10-9-16-5-7-17(14-25)8-6-16)13-19(12-15)29-30(26,27)21-4-2-3-20(23)22(21)24/h2-8,11-13H,9-10,14,25H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422366
(CHEMBL115413)Show SMILES CCc1cc(OCCc2ccc(CN)cc2)cc(OS(=O)(=O)c2cc(C)ccc2OC)c1 Show InChI InChI=1S/C25H29NO5S/c1-4-19-14-22(30-12-11-20-6-8-21(17-26)9-7-20)16-23(15-19)31-32(27,28)25-13-18(2)5-10-24(25)29-3/h5-10,13-16H,4,11-12,17,26H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422370
(CHEMBL114176)Show SMILES NCc1ccc(CCOc2cccc(OS(=O)(=O)c3ccccc3)c2)cc1O Show InChI InChI=1S/C21H21NO5S/c22-15-17-10-9-16(13-21(17)23)11-12-26-18-5-4-6-19(14-18)27-28(24,25)20-7-2-1-3-8-20/h1-10,13-14,23H,11-12,15,22H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422374
(CHEMBL414236)Show SMILES CCc1cc(OCCc2ccc(CN)c(O)c2)cc(OS(=O)(=O)c2cccc(Cl)c2Cl)c1 Show InChI InChI=1S/C23H23Cl2NO5S/c1-2-15-10-18(30-9-8-16-6-7-17(14-26)21(27)12-16)13-19(11-15)31-32(28,29)22-5-3-4-20(24)23(22)25/h3-7,10-13,27H,2,8-9,14,26H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422367
(CHEMBL324953)Show SMILES COc1c(Cl)cc(Cl)cc1S(=O)(=O)Oc1cc(C)cc(OCCc2cccc(O)c2)c1 Show InChI InChI=1S/C22H20Cl2O6S/c1-14-8-18(29-7-6-15-4-3-5-17(25)10-15)13-19(9-14)30-31(26,27)21-12-16(23)11-20(24)22(21)28-2/h3-5,8-13,25H,6-7H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50422372
(CHEMBL116392)Show SMILES Cc1cccc(c1)S(=O)(=O)Oc1cccc(OCCc2ccc(CN)cc2)c1 Show InChI InChI=1S/C22H23NO4S/c1-17-4-2-7-22(14-17)28(24,25)27-21-6-3-5-20(15-21)26-13-12-18-8-10-19(16-23)11-9-18/h2-11,14-15H,12-13,16,23H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin |
J Med Chem 44: 3424-39 (2001)
BindingDB Entry DOI: 10.7270/Q2D21ZWN |
More data for this
Ligand-Target Pair | |
Search and Browse
