Found 39 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)) | BDBM50130063
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50130063
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50130060
((R)-N-{(S)-2-(2-fluoro-phenyl)-1-[(S)-4-guanidino-...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1F)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H38FN7O5S2/c35-26-15-8-7-14-25(26)21-28(31(44)40-27(16-9-17-39-34(36)37)30(43)33-38-18-19-48-33)41-32(45)29(20-23-10-3-1-4-11-23)42-49(46,47)22-24-12-5-2-6-13-24/h1-8,10-15,18-19,27-29,42H,9,16-17,20-22H2,(H,40,44)(H,41,45)(H4,36,37,39)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50130058
((R)-N-{(S)-2-(3,4-Difluoro-phenyl)-1-[(S)-4-guanid...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H37F2N7O5S2/c35-25-14-13-24(18-26(25)36)20-28(31(45)41-27(12-7-15-40-34(37)38)30(44)33-39-16-17-49-33)42-32(46)29(19-22-8-3-1-4-9-22)43-50(47,48)21-23-10-5-2-6-11-23/h1-6,8-11,13-14,16-18,27-29,43H,7,12,15,19-21H2,(H,41,45)(H,42,46)(H4,37,38,40)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50130061
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES Cc1cccc(C[C@H](NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c2nccs2)c1 Show InChI InChI=1S/C35H41N7O5S2/c1-24-10-8-15-27(20-24)22-29(32(44)40-28(16-9-17-39-35(36)37)31(43)34-38-18-19-48-34)41-33(45)30(21-25-11-4-2-5-12-25)42-49(46,47)23-26-13-6-3-7-14-26/h2-8,10-15,18-20,28-30,42H,9,16-17,21-23H2,1H3,(H,40,44)(H,41,45)(H4,36,37,39)/t28-,29-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50130061
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES Cc1cccc(C[C@H](NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c2nccs2)c1 Show InChI InChI=1S/C35H41N7O5S2/c1-24-10-8-15-27(20-24)22-29(32(44)40-28(16-9-17-39-35(36)37)31(43)34-38-18-19-48-34)41-33(45)30(21-25-11-4-2-5-12-25)42-49(46,47)23-26-13-6-3-7-14-26/h2-8,10-15,18-20,28-30,42H,9,16-17,21-23H2,1H3,(H,40,44)(H,41,45)(H4,36,37,39)/t28-,29-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50130062
((R)-N-{(S)-2-(3-Fluoro-phenyl)-1-[(S)-4-guanidino-...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H38FN7O5S2/c35-26-14-7-13-25(19-26)21-28(31(44)40-27(15-8-16-39-34(36)37)30(43)33-38-17-18-48-33)41-32(45)29(20-23-9-3-1-4-10-23)42-49(46,47)22-24-11-5-2-6-12-24/h1-7,9-14,17-19,27-29,42H,8,15-16,20-22H2,(H,40,44)(H,41,45)(H4,36,37,39)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM14514
((2R)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C33H38N8O5S2/c34-33(35)38-16-8-14-26(29(42)32-37-17-18-47-32)39-30(43)27(20-25-13-7-15-36-21-25)40-31(44)28(19-23-9-3-1-4-10-23)41-48(45,46)22-24-11-5-2-6-12-24/h1-7,9-13,15,17-18,21,26-28,41H,8,14,16,19-20,22H2,(H,39,43)(H,40,44)(H4,34,35,38)/t26-,27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50130060
((R)-N-{(S)-2-(2-fluoro-phenyl)-1-[(S)-4-guanidino-...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1F)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H38FN7O5S2/c35-26-15-8-7-14-25(26)21-28(31(44)40-27(16-9-17-39-34(36)37)30(43)33-38-18-19-48-33)41-32(45)29(20-23-10-3-1-4-11-23)42-49(46,47)22-24-12-5-2-6-13-24/h1-8,10-15,18-19,27-29,42H,9,16-17,20-22H2,(H,40,44)(H,41,45)(H4,36,37,39)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50130058
((R)-N-{(S)-2-(3,4-Difluoro-phenyl)-1-[(S)-4-guanid...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H37F2N7O5S2/c35-25-14-13-24(18-26(25)36)20-28(31(45)41-27(12-7-15-40-34(37)38)30(44)33-39-16-17-49-33)42-32(46)29(19-22-8-3-1-4-9-22)43-50(47,48)21-23-10-5-2-6-11-23/h1-6,8-11,13-14,16-18,27-29,43H,7,12,15,19-21H2,(H,41,45)(H,42,46)(H4,37,38,40)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50130064
((R)-N-{(S)-2-(3-Chloro-phenyl)-1-[(S)-4-guanidino-...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H38ClN7O5S2/c35-26-14-7-13-25(19-26)21-28(31(44)40-27(15-8-16-39-34(36)37)30(43)33-38-17-18-48-33)41-32(45)29(20-23-9-3-1-4-10-23)42-49(46,47)22-24-11-5-2-6-12-24/h1-7,9-14,17-19,27-29,42H,8,15-16,20-22H2,(H,40,44)(H,41,45)(H4,36,37,39)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50130056
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES Cc1ccccc1C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 Show InChI InChI=1S/C35H41N7O5S2/c1-24-11-8-9-16-27(24)22-29(32(44)40-28(17-10-18-39-35(36)37)31(43)34-38-19-20-48-34)41-33(45)30(21-25-12-4-2-5-13-25)42-49(46,47)23-26-14-6-3-7-15-26/h2-9,11-16,19-20,28-30,42H,10,17-18,21-23H2,1H3,(H,40,44)(H,41,45)(H4,36,37,39)/t28-,29-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50130062
((R)-N-{(S)-2-(3-Fluoro-phenyl)-1-[(S)-4-guanidino-...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H38FN7O5S2/c35-26-14-7-13-25(19-26)21-28(31(44)40-27(15-8-16-39-34(36)37)30(43)33-38-17-18-48-33)41-32(45)29(20-23-9-3-1-4-10-23)42-49(46,47)22-24-11-5-2-6-12-24/h1-7,9-14,17-19,27-29,42H,8,15-16,20-22H2,(H,40,44)(H,41,45)(H4,36,37,39)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50130064
((R)-N-{(S)-2-(3-Chloro-phenyl)-1-[(S)-4-guanidino-...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H38ClN7O5S2/c35-26-14-7-13-25(19-26)21-28(31(44)40-27(15-8-16-39-34(36)37)30(43)33-38-17-18-48-33)41-32(45)29(20-23-9-3-1-4-10-23)42-49(46,47)22-24-11-5-2-6-12-24/h1-7,9-14,17-19,27-29,42H,8,15-16,20-22H2,(H,40,44)(H,41,45)(H4,36,37,39)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM14514
((2R)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C33H38N8O5S2/c34-33(35)38-16-8-14-26(29(42)32-37-17-18-47-32)39-30(43)27(20-25-13-7-15-36-21-25)40-31(44)28(19-23-9-3-1-4-10-23)41-48(45,46)22-24-11-5-2-6-12-24/h1-7,9-13,15,17-18,21,26-28,41H,8,14,16,19-20,22H2,(H,39,43)(H,40,44)(H4,34,35,38)/t26-,27-,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50366819
(CHEMBL1790570)Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C31H41N7O5S2/c1-3-21(2)26(29(41)36-24(15-10-16-35-31(32)33)27(39)30-34-17-18-44-30)37-28(40)25(19-22-11-6-4-7-12-22)38-45(42,43)20-23-13-8-5-9-14-23/h4-9,11-14,17-18,21,24-26,38H,3,10,15-16,19-20H2,1-2H3,(H,36,41)(H,37,40)(H4,32,33,35)/t21-,24+,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50130056
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES Cc1ccccc1C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 Show InChI InChI=1S/C35H41N7O5S2/c1-24-11-8-9-16-27(24)22-29(32(44)40-28(17-10-18-39-35(36)37)31(43)34-38-19-20-48-34)41-33(45)30(21-25-12-4-2-5-13-25)42-49(46,47)23-26-14-6-3-7-15-26/h2-9,11-16,19-20,28-30,42H,10,17-18,21-23H2,1H3,(H,40,44)(H,41,45)(H4,36,37,39)/t28-,29-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50130054
((R)-N-{(S)-2-(4-Cyano-phenyl)-1-[(S)-4-guanidino-1...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C#N)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C35H38N8O5S2/c36-22-26-15-13-25(14-16-26)20-29(32(45)41-28(12-7-17-40-35(37)38)31(44)34-39-18-19-49-34)42-33(46)30(21-24-8-3-1-4-9-24)43-50(47,48)23-27-10-5-2-6-11-27/h1-6,8-11,13-16,18-19,28-30,43H,7,12,17,20-21,23H2,(H,41,45)(H,42,46)(H4,37,38,40)/t28-,29-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 340 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50366819
(CHEMBL1790570)Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C31H41N7O5S2/c1-3-21(2)26(29(41)36-24(15-10-16-35-31(32)33)27(39)30-34-17-18-44-30)37-28(40)25(19-22-11-6-4-7-12-22)38-45(42,43)20-23-13-8-5-9-14-23/h4-9,11-14,17-18,21,24-26,38H,3,10,15-16,19-20H2,1-2H3,(H,36,41)(H,37,40)(H4,32,33,35)/t21-,24+,25-,26+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50130065
((R)-N-[(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C35H38F3N7O5S2/c36-35(37,38)26-14-7-13-25(19-26)21-28(31(47)43-27(15-8-16-42-34(39)40)30(46)33-41-17-18-51-33)44-32(48)29(20-23-9-3-1-4-10-23)45-52(49,50)22-24-11-5-2-6-12-24/h1-7,9-14,17-19,27-29,45H,8,15-16,20-22H2,(H,43,47)(H,44,48)(H4,39,40,42)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50130054
((R)-N-{(S)-2-(4-Cyano-phenyl)-1-[(S)-4-guanidino-1...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C#N)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C35H38N8O5S2/c36-22-26-15-13-25(14-16-26)20-29(32(45)41-28(12-7-17-40-35(37)38)31(44)34-39-18-19-49-34)42-33(46)30(21-24-8-3-1-4-9-24)43-50(47,48)23-27-10-5-2-6-11-27/h1-6,8-11,13-16,18-19,28-30,43H,7,12,17,20-21,23H2,(H,41,45)(H,42,46)(H4,37,38,40)/t28-,29-,30+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50130065
((R)-N-[(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C35H38F3N7O5S2/c36-35(37,38)26-14-7-13-25(19-26)21-28(31(47)43-27(15-8-16-42-34(39)40)30(46)33-41-17-18-51-33)44-32(48)29(20-23-9-3-1-4-10-23)45-52(49,50)22-24-11-5-2-6-12-24/h1-7,9-14,17-19,27-29,45H,8,15-16,20-22H2,(H,43,47)(H,44,48)(H4,39,40,42)/t27-,28-,29+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50228753
((S)-N*1*-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-...)Show SMILES [#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C29H36N8O6S2/c30-24(38)17-22(26(40)35-21(12-7-13-34-29(31)32)25(39)28-33-14-15-44-28)36-27(41)23(16-19-8-3-1-4-9-19)37-45(42,43)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,37H,7,12-13,16-18H2,(H2,30,38)(H,35,40)(H,36,41)(H4,31,32,34)/t21-,22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor VII
(Homo sapiens (Human)) | BDBM50130055
((S)-3-Cyano-N-[(S)-4-guanidino-1-(thiazole-2-carbo...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC#N)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C29H34N8O5S2/c30-14-13-23(26(39)35-22(12-7-15-34-29(31)32)25(38)28-33-16-17-43-28)36-27(40)24(18-20-8-3-1-4-9-20)37-44(41,42)19-21-10-5-2-6-11-21/h1-6,8-11,16-17,22-24,37H,7,12-13,15,18-19H2,(H,35,39)(H,36,40)(H4,31,32,34)/t22-,23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of tissue coagulation factor VII |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50228753
((S)-N*1*-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-...)Show SMILES [#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C29H36N8O6S2/c30-24(38)17-22(26(40)35-21(12-7-13-34-29(31)32)25(39)28-33-14-15-44-28)36-27(41)23(16-19-8-3-1-4-9-19)37-45(42,43)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,37H,7,12-13,16-18H2,(H2,30,38)(H,35,40)(H,36,41)(H4,31,32,34)/t21-,22-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50130055
((S)-3-Cyano-N-[(S)-4-guanidino-1-(thiazole-2-carbo...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC#N)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C29H34N8O5S2/c30-14-13-23(26(39)35-22(12-7-15-34-29(31)32)25(38)28-33-16-17-43-28)36-27(40)24(18-20-8-3-1-4-9-20)37-44(41,42)19-21-10-5-2-6-11-21/h1-6,8-11,16-17,22-24,37H,7,12-13,15,18-19H2,(H,35,39)(H,36,40)(H4,31,32,34)/t22-,23-,24+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibition of coagulation factor X |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50130063
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H39N7O5S2/c35-34(36)38-18-10-17-27(30(42)33-37-19-20-47-33)39-31(43)28(21-24-11-4-1-5-12-24)40-32(44)29(22-25-13-6-2-7-14-25)41-48(45,46)23-26-15-8-3-9-16-26/h1-9,11-16,19-20,27-29,41H,10,17-18,21-23H2,(H,39,43)(H,40,44)(H4,35,36,38)/t27-,28-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50130058
((R)-N-{(S)-2-(3,4-Difluoro-phenyl)-1-[(S)-4-guanid...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(F)c(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H37F2N7O5S2/c35-25-14-13-24(18-26(25)36)20-28(31(45)41-27(12-7-15-40-34(37)38)30(44)33-39-16-17-49-33)42-32(46)29(19-22-8-3-1-4-9-22)43-50(47,48)21-23-10-5-2-6-11-23/h1-6,8-11,13-14,16-18,27-29,43H,7,12,15,19-21H2,(H,41,45)(H,42,46)(H4,37,38,40)/t27-,28-,29+/m0/s1 | 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 |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50130061
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES Cc1cccc(C[C@H](NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c2nccs2)c1 Show InChI InChI=1S/C35H41N7O5S2/c1-24-10-8-15-27(20-24)22-29(32(44)40-28(16-9-17-39-35(36)37)31(43)34-38-18-19-48-34)41-33(45)30(21-25-11-4-2-5-12-25)42-49(46,47)23-26-13-6-3-7-14-26/h2-8,10-15,18-20,28-30,42H,9,16-17,21-23H2,1H3,(H,40,44)(H,41,45)(H4,36,37,39)/t28-,29-,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50130064
((R)-N-{(S)-2-(3-Chloro-phenyl)-1-[(S)-4-guanidino-...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H38ClN7O5S2/c35-26-14-7-13-25(19-26)21-28(31(44)40-27(15-8-16-39-34(36)37)30(43)33-38-17-18-48-33)41-32(45)29(20-23-9-3-1-4-10-23)42-49(46,47)22-24-11-5-2-6-12-24/h1-7,9-14,17-19,27-29,42H,8,15-16,20-22H2,(H,40,44)(H,41,45)(H4,36,37,39)/t27-,28-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50130062
((R)-N-{(S)-2-(3-Fluoro-phenyl)-1-[(S)-4-guanidino-...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccc(F)c1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H38FN7O5S2/c35-26-14-7-13-25(19-26)21-28(31(44)40-27(15-8-16-39-34(36)37)30(43)33-38-17-18-48-33)41-32(45)29(20-23-9-3-1-4-10-23)42-49(46,47)22-24-11-5-2-6-12-24/h1-7,9-14,17-19,27-29,42H,8,15-16,20-22H2,(H,40,44)(H,41,45)(H4,36,37,39)/t27-,28-,29+/m0/s1 | PDB
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| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50366819
(CHEMBL1790570)Show SMILES [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C31H41N7O5S2/c1-3-21(2)26(29(41)36-24(15-10-16-35-31(32)33)27(39)30-34-17-18-44-30)37-28(40)25(19-22-11-6-4-7-12-22)38-45(42,43)20-23-13-8-5-9-14-23/h4-9,11-14,17-18,21,24-26,38H,3,10,15-16,19-20H2,1-2H3,(H,36,41)(H,37,40)(H4,32,33,35)/t21-,24+,25-,26+/m1/s1 | PDB
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| n/a | n/a | 1.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50130056
((R)-N-{(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES Cc1ccccc1C[C@H](NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 Show InChI InChI=1S/C35H41N7O5S2/c1-24-11-8-9-16-27(24)22-29(32(44)40-28(17-10-18-39-35(36)37)31(43)34-38-19-20-48-34)41-33(45)30(21-25-12-4-2-5-13-25)42-49(46,47)23-26-14-6-3-7-15-26/h2-9,11-16,19-20,28-30,42H,10,17-18,21-23H2,1H3,(H,40,44)(H,41,45)(H4,36,37,39)/t28-,29-,30+/m0/s1 | PDB
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| n/a | n/a | 2.17E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50130060
((R)-N-{(S)-2-(2-fluoro-phenyl)-1-[(S)-4-guanidino-...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1F)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C34H38FN7O5S2/c35-26-15-8-7-14-25(26)21-28(31(44)40-27(16-9-17-39-34(36)37)30(43)33-38-18-19-48-33)41-32(45)29(20-23-10-3-1-4-11-23)42-49(46,47)22-24-12-5-2-6-13-24/h1-8,10-15,18-19,27-29,42H,9,16-17,20-22H2,(H,40,44)(H,41,45)(H4,36,37,39)/t27-,28-,29+/m0/s1 | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50130054
((R)-N-{(S)-2-(4-Cyano-phenyl)-1-[(S)-4-guanidino-1...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C#N)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C35H38N8O5S2/c36-22-26-15-13-25(14-16-26)20-29(32(45)41-28(12-7-17-40-35(37)38)31(44)34-39-18-19-49-34)42-33(46)30(21-24-8-3-1-4-9-24)43-50(47,48)23-27-10-5-2-6-11-27/h1-6,8-11,13-16,18-19,28-30,43H,7,12,17,20-21,23H2,(H,41,45)(H,42,46)(H4,37,38,40)/t28-,29-,30+/m0/s1 | PDB
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| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50228753
((S)-N*1*-[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-...)Show SMILES [#7]-[#6](=O)-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C29H36N8O6S2/c30-24(38)17-22(26(40)35-21(12-7-13-34-29(31)32)25(39)28-33-14-15-44-28)36-27(41)23(16-19-8-3-1-4-9-19)37-45(42,43)18-20-10-5-2-6-11-20/h1-6,8-11,14-15,21-23,37H,7,12-13,16-18H2,(H2,30,38)(H,35,40)(H,36,41)(H4,31,32,34)/t21-,22-,23+/m0/s1 | PDB
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| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50130065
((R)-N-[(S)-1-[(S)-4-Guanidino-1-(thiazole-2-carbon...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](Cc1cccc(c1)C(F)(F)F)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C35H38F3N7O5S2/c36-35(37,38)26-14-7-13-25(19-26)21-28(31(47)43-27(15-8-16-42-34(39)40)30(46)33-41-17-18-51-33)44-32(48)29(20-23-9-3-1-4-10-23)45-52(49,50)22-24-11-5-2-6-12-24/h1-7,9-14,17-19,27-29,45H,8,15-16,20-22H2,(H,43,47)(H,44,48)(H4,39,40,42)/t27-,28-,29+/m0/s1 | PDB
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| n/a | n/a | 8.49E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50130055
((S)-3-Cyano-N-[(S)-4-guanidino-1-(thiazole-2-carbo...)Show SMILES NC(=N)NCCC[C@H](NC(=O)[C@H](CC#N)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1 Show InChI InChI=1S/C29H34N8O5S2/c30-14-13-23(26(39)35-22(12-7-15-34-29(31)32)25(38)28-33-16-17-43-28)36-27(40)24(18-20-8-3-1-4-9-20)37-44(41,42)19-21-10-5-2-6-11-21/h1-6,8-11,16-17,22-24,37H,7,12-13,15,18-19H2,(H,35,39)(H,36,40)(H4,31,32,34)/t22-,23-,24+/m0/s1 | PDB
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| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM14514
((2R)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccccc1)-[#7]S(=O)(=O)[#6]-c1ccccc1)-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C33H38N8O5S2/c34-33(35)38-16-8-14-26(29(42)32-37-17-18-47-32)39-30(43)27(20-25-13-7-15-36-21-25)40-31(44)28(19-23-9-3-1-4-10-23)41-48(45,46)22-24-11-5-2-6-12-24/h1-7,9-13,15,17-18,21,26-28,41H,8,14,16,19-20,22H2,(H,39,43)(H,40,44)(H4,34,35,38)/t26-,27-,28+/m0/s1 | PDB
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| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacia Corporation
Curated by ChEMBL
| Assay Description
Inhibitory activity against thrombin (IIa) |
Bioorg Med Chem Lett 13: 2363-7 (2003)
BindingDB Entry DOI: 10.7270/Q2RX9CMS |
More data for this
Ligand-Target Pair | |
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