BDBM50097754 3-Carbamimidoyl-N-{(R)-2-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-2-oxo-1-phenyl-ethyl}-benzamide::CHEMBL162634
SMILES: NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(CC1)C(=O)c1ccc(F)cc1)c1ccccc1
InChI Key: InChIKey=UGCXSGLQUWHIBS-XMMPIXPASA-N
Data: 3 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 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) 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...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 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) 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...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 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) BindingDB Entry DOI: 10.7270/Q2M32V0B | |||||||||||
More data for this Ligand-Target Pair |