BDBM50123421 3-{5-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-phenyl}-methanesulfonyl-amino)-methyl]-isoxazol-3-yl}-benzamidine::CHEMBL345763
SMILES: CC(=N)N1CCC(CC1)Oc1ccc(cc1)N(Cc1cc(no1)-c1cccc(c1)C(N)=N)S(C)(=O)=O
InChI Key: InChIKey=UXZHSOPGBUGSOZ-UHFFFAOYSA-N
Data: 3 IC50
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)) | BDBM50123421 (3-{5-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory concentration of the compound to factor Xa | Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50123421 (3-{5-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of factor II | Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin II (Rattus norvegicus) | BDBM50123421 (3-{5-[({4-[1-(1-Imino-ethyl)-piperidin-4-yloxy]-ph...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against trypsin | Bioorg Med Chem Lett 13: 561-6 (2003) BindingDB Entry DOI: 10.7270/Q2DB816X | |||||||||||
More data for this Ligand-Target Pair |