BDBM50177436 CHEMBL557787::N-(4-carbamimidoyl-benzyl)-2-[2-hydroxy-6-methyl-3-(naphthalene-1-sulfonylamino)-phenyl]-acetamide hydrochloride
SMILES: Cc1ccc(NS(=O)(=O)c2cccc3ccccc23)c(O)c1CC(=O)NCc1ccc(cc1)C(N)=N
InChI Key: InChIKey=KWJVADNYZMUTJY-UHFFFAOYSA-N
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 |
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Prothrombin (Homo sapiens (Human)) | BDBM50177436 (CHEMBL557787 | N-(4-carbamimidoyl-benzyl)-2-[2-hyd...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL | Assay Description Inhibition of thrombin (unknown origin) | J Med Chem 56: 4656-70 (2013) Article DOI: 10.1021/jm400404v BindingDB Entry DOI: 10.7270/Q2F47S23 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50177436 (CHEMBL557787 | N-(4-carbamimidoyl-benzyl)-2-[2-hyd...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Inhibitory activity against thrombin | Bioorg Med Chem Lett 16: 1032-6 (2006) Article DOI: 10.1016/j.bmcl.2005.10.082 BindingDB Entry DOI: 10.7270/Q2V125K5 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |