BDBM13575 N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-dimethoxyphenyl)acetamide::phenylglycine amide compound 1
SMILES: COc1ccc(cc1OC)C(Nc1ccc(cc1)C(N)=N)C(=O)NCc1ccccc1
InChI Key: InChIKey=BMQMRSICTKGCCO-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)) | BDBM13575![]() (N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 350 | -8.71 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
F. Hoffmann-La Roche Inc | 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) | ||||||||||||
Thrombin and coagulation factor X (Homo sapiens (Human)) | BDBM13575![]() (N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 460 | -8.55 | n/a | n/a | n/a | n/a | n/a | 7.8 | 22 |
F. Hoffmann-La Roche Inc | 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 | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM13575![]() (N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc | 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)) | BDBM13575![]() (N-benzyl-2-[(4-carbamimidoylphenyl)amino]-2-(3,4-d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc | 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 |