BDBM13581 4-({[4-(benzyloxy)-2-methanesulfonamido-5-methoxyphenyl]methyl}amino)benzene-1-carboximidamide::benzylamine 7
SMILES: COc1cc(CNc2ccc(cc2)C(N)=N)c(NS(C)(=O)=O)cc1OCc1ccccc1
InChI Key: InChIKey=CRFICMUDNBIMKL-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor VII (Homo sapiens (Human)) | BDBM13581 (4-({[4-(benzyloxy)-2-methanesulfonamido-5-methoxyp...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | 380 | -8.66 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
F. Hoffmann-La Roche Ltd. | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem Lett 15: 817-22 (2005) Article DOI: 10.1016/j.bmcl.2004.10.092 BindingDB Entry DOI: 10.7270/Q2SF2TFR | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM13581 (4-({[4-(benzyloxy)-2-methanesulfonamido-5-methoxyp...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | Article PubMed | 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem Lett 15: 817-22 (2005) Article DOI: 10.1016/j.bmcl.2004.10.092 BindingDB Entry DOI: 10.7270/Q2SF2TFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM13581 (4-({[4-(benzyloxy)-2-methanesulfonamido-5-methoxyp...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | Article PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem Lett 15: 817-22 (2005) Article DOI: 10.1016/j.bmcl.2004.10.092 BindingDB Entry DOI: 10.7270/Q2SF2TFR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM13581 (4-({[4-(benzyloxy)-2-methanesulfonamido-5-methoxyp...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem | Article PubMed | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | Bioorg Med Chem Lett 15: 817-22 (2005) Article DOI: 10.1016/j.bmcl.2004.10.092 BindingDB Entry DOI: 10.7270/Q2SF2TFR | |||||||||||
More data for this Ligand-Target Pair |