BDBM50097775 CHEMBL163578::N-[(R)-2-(4-Benzyl-piperidin-1-yl)-2-oxo-1-phenyl-ethyl]-3-carbamimidoyl-benzamide
SMILES: NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1
InChI Key: InChIKey=PPKCSWKQBJHULC-RUZDIDTESA-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)) | BDBM50097775 (CHEMBL163578 | N-[(R)-2-(4-Benzyl-piperidin-1-yl)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 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) 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)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 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) 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)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 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) BindingDB Entry DOI: 10.7270/Q2M32V0B | |||||||||||
More data for this Ligand-Target Pair |