BDBM50112524 7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-4-nitro-benzoimidazol-1-ylmethyl}-naphthalene-2-carboxamidine::CHEMBL25073
SMILES: CCc1nc2c(c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N)[N+]([O-])=O
InChI Key: InChIKey=JPZAPLAFJYUWQP-UHFFFAOYSA-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)) | BDBM50112524 (7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Tested in vitro for the inhibitory potency against Coagulation factor Xa | Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine protease 1 (Homo sapiens (Human)) | BDBM50112524 (7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Tested in vitro for the selectivity against trypsin (Trp) | Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50112524 (7-{2-Ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Biosciences Curated by ChEMBL | Assay Description Tested in vitro for the selectivity against thrombin (IIa) | Bioorg Med Chem Lett 12: 1311-4 (2002) BindingDB Entry DOI: 10.7270/Q2X066CP | |||||||||||
More data for this Ligand-Target Pair |