BDBM50114537 (2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-2-yl-benzoylamino)-butyric acid methyl ester::CHEMBL295010
SMILES: COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1ccccn1
InChI Key: InChIKey=GAIPEMIZEAGHFH-IIBYNOLFSA-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)) | BDBM50114537 ((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-2-...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals Curated by ChEMBL | Assay Description Inibition of Coagulation factor Xa | Bioorg Med Chem Lett 12: 1671-4 (2002) BindingDB Entry DOI: 10.7270/Q2BV7FXG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50114537 ((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-2-...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals Curated by ChEMBL | Assay Description In vitro inhibitory potency against Trypsin | Bioorg Med Chem Lett 12: 1671-4 (2002) BindingDB Entry DOI: 10.7270/Q2BV7FXG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50114537 ((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-(4-pyridin-2-...) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Coagulation factor IIa | Bioorg Med Chem Lett 12: 1671-4 (2002) BindingDB Entry DOI: 10.7270/Q2BV7FXG | |||||||||||
More data for this Ligand-Target Pair |