BDBM50120225 2-{[2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl)-propionyl]-methyl-amino}-3-hydroxy-N-(1-phenyl-ethyl)-butyramide::CHEMBL105819
SMILES: CC(O)C(N(C)C(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C)c1ccccc1
InChI Key: InChIKey=IHBRTJZRICMSLW-UHFFFAOYSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin (Bos taurus (bovine)) | BDBM50120225 (2-{[2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Concentration of the compound required to inhibit Trypsin was determined | Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM50120225 (2-{[2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Concentration of the compound required to inhibit tissue-type plasminogen activator (t-PA) was determined | Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50120225 (2-{[2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Concentration of the compound required to inhibit Plasmin was determined | Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50120225 (2-{[2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Concentration of the compound required to inhibit Coagulation factor X was determined | Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50120225 (2-{[2-(4-Guanidino-butyrylamino)-3-(4-nitro-phenyl...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Concentration of the compound required to inhibit thrombin was determined | Bioorg Med Chem Lett 12: 3183-6 (2002) BindingDB Entry DOI: 10.7270/Q20P0ZBK | |||||||||||
More data for this Ligand-Target Pair |