Found 6 hits for monomerid = 50097754,50097775 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097754
(3-Carbamimidoyl-N-{(R)-2-[4-(4-fluoro-benzoyl)-pip...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C28H27FN4O3/c29-23-11-9-19(10-12-23)25(34)20-13-15-33(16-14-20)28(36)24(18-5-2-1-3-6-18)32-27(35)22-8-4-7-21(17-22)26(30)31/h1-12,17,20,24H,13-16H2,(H3,30,31)(H,32,35)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
Article DOI: 10.1016/s0960-894x(01)00042-7
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Coagulation factor X
(Homo sapiens (Human)) | BDBM50097775
(CHEMBL163578 | N-[(R)-2-(4-Benzyl-piperidin-1-yl)-...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H30N4O2/c29-26(30)23-12-7-13-24(19-23)27(33)31-25(22-10-5-2-6-11-22)28(34)32-16-14-21(15-17-32)18-20-8-3-1-4-9-20/h1-13,19,21,25H,14-18H2,(H3,29,30)(H,31,33)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
DrugBank
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human coagulation factor Xa |
Bioorg Med Chem Lett 11: 733-6 (2001)
Article DOI: 10.1016/s0960-894x(01)00042-7
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Trypsin-1
(Homo sapiens (Human)) | BDBM50097754
(3-Carbamimidoyl-N-{(R)-2-[4-(4-fluoro-benzoyl)-pip...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C28H27FN4O3/c29-23-11-9-19(10-12-23)25(34)20-13-15-33(16-14-20)28(36)24(18-5-2-1-3-6-18)32-27(35)22-8-4-7-21(17-22)26(30)31/h1-12,17,20,24H,13-16H2,(H3,30,31)(H,32,35)/t24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 11: 733-6 (2001)
Article DOI: 10.1016/s0960-894x(01)00042-7
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Trypsin-1
(Homo sapiens (Human)) | BDBM50097775
(CHEMBL163578 | N-[(R)-2-(4-Benzyl-piperidin-1-yl)-...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H30N4O2/c29-26(30)23-12-7-13-24(19-23)27(33)31-25(22-10-5-2-6-11-22)28(34)32-16-14-21(15-17-32)18-20-8-3-1-4-9-20/h1-13,19,21,25H,14-18H2,(H3,29,30)(H,31,33)/t25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Binding affinity against human trypsin |
Bioorg Med Chem Lett 11: 733-6 (2001)
Article DOI: 10.1016/s0960-894x(01)00042-7
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50097754
(3-Carbamimidoyl-N-{(R)-2-[4-(4-fluoro-benzoyl)-pip...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccccc1 Show InChI InChI=1S/C28H27FN4O3/c29-23-11-9-19(10-12-23)25(34)20-13-15-33(16-14-20)28(36)24(18-5-2-1-3-6-18)32-27(35)22-8-4-7-21(17-22)26(30)31/h1-12,17,20,24H,13-16H2,(H3,30,31)(H,32,35)/t24-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Affinity for human thrombin |
Bioorg Med Chem Lett 11: 733-6 (2001)
Article DOI: 10.1016/s0960-894x(01)00042-7
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50097775
(CHEMBL163578 | N-[(R)-2-(4-Benzyl-piperidin-1-yl)-...)Show SMILES NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C28H30N4O2/c29-26(30)23-12-7-13-24(19-23)27(33)31-25(22-10-5-2-6-11-22)28(34)32-16-14-21(15-17-32)18-20-8-3-1-4-9-20/h1-13,19,21,25H,14-18H2,(H3,29,30)(H,31,33)/t25-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Prosthetics Molecular Design
Curated by ChEMBL
| Assay Description
Affinity for human thrombin |
Bioorg Med Chem Lett 11: 733-6 (2001)
Article DOI: 10.1016/s0960-894x(01)00042-7
BindingDB Entry DOI: 10.7270/Q2M32V0B |
More data for this
Ligand-Target Pair | |
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