Found 24 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)) | BDBM50089118
(CHEMBL282281 | N-[((S)-5-Amino-1-dihydroxyboron-pe...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C22H27BN4O4S/c1-27(15-21(28)26-20(23(30)31)12-6-7-13-24)22(29)17-9-3-5-11-19(17)32-18-10-4-2-8-16(18)14-25/h2-5,8-11,20,30-31H,6-7,12-13,15,24H2,1H3,(H,26,28)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089112
(CHEMBL22886 | N-[((S)-5-Amino-1-dihydroxyboron-pen...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Sc1ccccc1 Show InChI InChI=1S/C21H28BN3O4S/c1-25(15-20(26)24-19(22(28)29)13-7-8-14-23)21(27)17-11-5-6-12-18(17)30-16-9-3-2-4-10-16/h2-6,9-12,19,28-29H,7-8,13-15,23H2,1H3,(H,24,26)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089116
(CHEMBL283553 | N-[((S)-5-Amino-1-dihydroxyboron-pe...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Cc1ccccc1 Show InChI InChI=1S/C22H30BN3O4/c1-26(16-21(27)25-20(23(29)30)13-7-8-14-24)22(28)19-12-6-5-11-18(19)15-17-9-3-2-4-10-17/h2-6,9-12,20,29-30H,7-8,13-16,24H2,1H3,(H,25,27)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089118
(CHEMBL282281 | N-[((S)-5-Amino-1-dihydroxyboron-pe...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C22H27BN4O4S/c1-27(15-21(28)26-20(23(30)31)12-6-7-13-24)22(29)17-9-3-5-11-19(17)32-18-10-4-2-8-16(18)14-25/h2-5,8-11,20,30-31H,6-7,12-13,15,24H2,1H3,(H,26,28)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50089112
(CHEMBL22886 | N-[((S)-5-Amino-1-dihydroxyboron-pen...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Sc1ccccc1 Show InChI InChI=1S/C21H28BN3O4S/c1-25(15-20(26)24-19(22(28)29)13-7-8-14-23)21(27)17-11-5-6-12-18(17)30-16-9-3-2-4-10-16/h2-6,9-12,19,28-29H,7-8,13-15,23H2,1H3,(H,24,26)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089115
(CHEMBL281573 | N-({(S)-5-Amino-1-[4-(pyridin-3-ylo...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C35H34N6O5S/c1-41(35(45)28-11-3-5-14-31(28)47-30-13-4-2-9-24(30)21-37)23-32(42)40-29(12-6-7-19-36)33(43)34(44)39-25-15-17-26(18-16-25)46-27-10-8-20-38-22-27/h2-5,8-11,13-18,20,22,29H,6-7,12,19,23,36H2,1H3,(H,39,44)(H,40,42)/t29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50089121
(CHEMBL279741 | N-[((S)-5-Amino-1-phenylaminooxalyl...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccccc1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C30H31N5O4S/c1-35(30(39)23-14-6-8-17-26(23)40-25-16-7-5-11-21(25)19-32)20-27(36)34-24(15-9-10-18-31)28(37)29(38)33-22-12-3-2-4-13-22/h2-8,11-14,16-17,24H,9-10,15,18,20,31H2,1H3,(H,33,38)(H,34,36)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089117
(CHEMBL22566 | N-({(S)-5-Amino-1-[4-(3-amino-phenox...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2cccc(N)c2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C36H36N6O5S/c1-42(36(46)29-12-3-5-15-32(29)48-31-14-4-2-9-24(31)22-38)23-33(43)41-30(13-6-7-20-37)34(44)35(45)40-26-16-18-27(19-17-26)47-28-11-8-10-25(39)21-28/h2-5,8-12,14-19,21,30H,6-7,13,20,23,37,39H2,1H3,(H,40,45)(H,41,43)/t30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089121
(CHEMBL279741 | N-[((S)-5-Amino-1-phenylaminooxalyl...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccccc1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C30H31N5O4S/c1-35(30(39)23-14-6-8-17-26(23)40-25-16-7-5-11-21(25)19-32)20-27(36)34-24(15-9-10-18-31)28(37)29(38)33-22-12-3-2-4-13-22/h2-8,11-14,16-17,24H,9-10,15,18,20,31H2,1H3,(H,33,38)(H,34,36)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50089115
(CHEMBL281573 | N-({(S)-5-Amino-1-[4-(pyridin-3-ylo...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2cccnc2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C35H34N6O5S/c1-41(35(45)28-11-3-5-14-31(28)47-30-13-4-2-9-24(30)21-37)23-32(42)40-29(12-6-7-19-36)33(43)34(44)39-25-15-17-26(18-16-25)46-27-10-8-20-38-22-27/h2-5,8-11,13-18,20,22,29H,6-7,12,19,23,36H2,1H3,(H,39,44)(H,40,42)/t29-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089120
(CHEMBL24987 | N-({(S)-5-Amino-1-[4-(4-amino-phenox...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C36H36N6O5S/c1-42(36(46)29-9-3-5-12-32(29)48-31-11-4-2-8-24(31)22-38)23-33(43)41-30(10-6-7-21-37)34(44)35(45)40-26-15-19-28(20-16-26)47-27-17-13-25(39)14-18-27/h2-5,8-9,11-20,30H,6-7,10,21,23,37,39H2,1H3,(H,40,45)(H,41,43)/t30-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089110
(CHEMBL23042 | N-[((S)-5-Amino-1-dihydroxyboron-pen...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H28BN3O6S/c1-25(15-20(26)24-19(22(28)29)13-7-8-14-23)21(27)17-11-5-6-12-18(17)32(30,31)16-9-3-2-4-10-16/h2-6,9-12,19,28-29H,7-8,13-15,23H2,1H3,(H,24,26)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50089116
(CHEMBL283553 | N-[((S)-5-Amino-1-dihydroxyboron-pe...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Cc1ccccc1 Show InChI InChI=1S/C22H30BN3O4/c1-26(16-21(27)25-20(23(29)30)13-7-8-14-24)22(28)19-12-6-5-11-18(19)15-17-9-3-2-4-10-17/h2-6,9-12,20,29-30H,7-8,13-16,24H2,1H3,(H,25,27)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50089111
(CHEMBL22944 | N-[((S)-5-Amino-1-methylaminooxalyl-...)Show SMILES CNC(=O)C(=O)[C@H](CCCCN)NC(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C25H29N5O4S/c1-28-24(33)23(32)19(11-7-8-14-26)29-22(31)16-30(2)25(34)18-10-4-6-13-21(18)35-20-12-5-3-9-17(20)15-27/h3-6,9-10,12-13,19H,7-8,11,14,16,26H2,1-2H3,(H,28,33)(H,29,31)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50089120
(CHEMBL24987 | N-({(S)-5-Amino-1-[4-(4-amino-phenox...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2ccc(N)cc2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C36H36N6O5S/c1-42(36(46)29-9-3-5-12-32(29)48-31-11-4-2-8-24(31)22-38)23-33(43)41-30(10-6-7-21-37)34(44)35(45)40-26-15-19-28(20-16-26)47-27-17-13-25(39)14-18-27/h2-5,8-9,11-20,30H,6-7,10,21,23,37,39H2,1H3,(H,40,45)(H,41,43)/t30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50089117
(CHEMBL22566 | N-({(S)-5-Amino-1-[4-(3-amino-phenox...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1ccc(Oc2cccc(N)c2)cc1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C36H36N6O5S/c1-42(36(46)29-12-3-5-15-32(29)48-31-14-4-2-9-24(31)22-38)23-33(43)41-30(13-6-7-20-37)34(44)35(45)40-26-16-18-27(19-17-26)47-28-11-8-10-25(39)21-28/h2-5,8-12,14-19,21,30H,6-7,13,20,23,37,39H2,1H3,(H,40,45)(H,41,43)/t30-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50089113
(CHEMBL280186 | N-{[(S)-5-Amino-1-(3-amino-phenylam...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1cccc(N)c1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C30H32N6O4S/c1-36(30(40)23-12-3-5-15-26(23)41-25-14-4-2-9-20(25)18-32)19-27(37)35-24(13-6-7-16-31)28(38)29(39)34-22-11-8-10-21(33)17-22/h2-5,8-12,14-15,17,24H,6-7,13,16,19,31,33H2,1H3,(H,34,39)(H,35,37)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089113
(CHEMBL280186 | N-{[(S)-5-Amino-1-(3-amino-phenylam...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1cccc(N)c1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C30H32N6O4S/c1-36(30(40)23-12-3-5-15-26(23)41-25-14-4-2-9-20(25)18-32)19-27(37)35-24(13-6-7-16-31)28(38)29(39)34-22-11-8-10-21(33)17-22/h2-5,8-12,14-15,17,24H,6-7,13,16,19,31,33H2,1H3,(H,34,39)(H,35,37)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50089119
(CHEMBL22557 | N-{[(S)-5-Amino-1-(2-morpholin-4-yl-...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)NCCN1CCOCC1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C30H38N6O5S/c1-35(30(40)23-9-3-5-12-26(23)42-25-11-4-2-8-22(25)20-32)21-27(37)34-24(10-6-7-13-31)28(38)29(39)33-14-15-36-16-18-41-19-17-36/h2-5,8-9,11-12,24H,6-7,10,13-19,21,31H2,1H3,(H,33,39)(H,34,37)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50089114
(CHEMBL278612 | N-{[(S)-5-Amino-1-(pyridin-2-ylmeth...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc1ccccn1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C30H32N6O4S/c1-36(30(40)23-12-3-5-15-26(23)41-25-14-4-2-10-21(25)18-32)20-27(37)35-24(13-6-8-16-31)28(38)29(39)34-19-22-11-7-9-17-33-22/h2-5,7,9-12,14-15,17,24H,6,8,13,16,19-20,31H2,1H3,(H,34,39)(H,35,37)/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089111
(CHEMBL22944 | N-[((S)-5-Amino-1-methylaminooxalyl-...)Show SMILES CNC(=O)C(=O)[C@H](CCCCN)NC(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C25H29N5O4S/c1-28-24(33)23(32)19(11-7-8-14-26)29-22(31)16-30(2)25(34)18-10-4-6-13-21(18)35-20-12-5-3-9-17(20)15-27/h3-6,9-10,12-13,19H,7-8,11,14,16,26H2,1-2H3,(H,28,33)(H,29,31)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50089110
(CHEMBL23042 | N-[((S)-5-Amino-1-dihydroxyboron-pen...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H28BN3O6S/c1-25(15-20(26)24-19(22(28)29)13-7-8-14-23)21(27)17-11-5-6-12-18(17)32(30,31)16-9-3-2-4-10-16/h2-6,9-12,19,28-29H,7-8,13-15,23H2,1H3,(H,24,26)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Inhibition of Coagulation factor X |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089114
(CHEMBL278612 | N-{[(S)-5-Amino-1-(pyridin-2-ylmeth...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc1ccccn1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C30H32N6O4S/c1-36(30(40)23-12-3-5-15-26(23)41-25-14-4-2-10-21(25)18-32)20-27(37)35-24(13-6-8-16-31)28(38)29(39)34-19-22-11-7-9-17-33-22/h2-5,7,9-12,14-15,17,24H,6,8,13,16,19-20,31H2,1H3,(H,34,39)(H,35,37)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50089119
(CHEMBL22557 | N-{[(S)-5-Amino-1-(2-morpholin-4-yl-...)Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)NCCN1CCOCC1)C(=O)c1ccccc1Sc1ccccc1C#N Show InChI InChI=1S/C30H38N6O5S/c1-35(30(40)23-9-3-5-12-26(23)42-25-11-4-2-8-22(25)20-32)21-27(37)34-24(10-6-7-13-31)28(38)29(39)33-14-15-36-16-18-41-19-17-36/h2-5,8-9,11-12,24H,6-7,10,13-19,21,31H2,1H3,(H,33,39)(H,34,37)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company
Curated by ChEMBL
| Assay Description
Binding affinity for human thrombin |
Bioorg Med Chem Lett 10: 1253-6 (2000)
BindingDB Entry DOI: 10.7270/Q22J6B3H |
More data for this
Ligand-Target Pair | |
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