BDBM50114538 (2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1H-imidazol-4-yl)-benzoylamino]-butyric acid methyl ester::CHEMBL44113
SMILES: COC(=O)[C@H](Cc1cccc(c1)C(N)=N)[C@@H](C)NC(=O)c1ccc(cc1)-c1c[nH]cn1
InChI Key: InChIKey=ZUQNNGDCZDYLMV-AUUYWEPGSA-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)) | BDBM50114538 ((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1H-imidaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3 | 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)) | BDBM50114538 ((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1H-imidaz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 170 | 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)) | BDBM50114538 ((2R,3R)-2-(3-Carbamimidoyl-benzyl)-3-[4-(1H-imidaz...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | >4.00E+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 |