BDBM50046894 2-(2-Acetylamino-3-methyl-butyrylamino)-4-methyl-pentanoic acid (1-formyl-4-guanidino-butyl)-amide::CHEMBL2373062
SMILES: [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](-[#6])=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O
InChI Key: InChIKey=VTOGQBLCPOHMEG-JYJNAYRXSA-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 |
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Cathepsin B (Bos taurus (bovine)) | BDBM50046894 (2-(2-Acetylamino-3-methyl-butyrylamino)-4-methyl-p...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arkansas Curated by ChEMBL | Assay Description Inhibition of cathepsin B with Cbz-L-lysine-p-nitrophenyl ester as substrate | J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50046894 (2-(2-Acetylamino-3-methyl-butyrylamino)-4-methyl-p...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arkansas Curated by ChEMBL | Assay Description Inhibition of thrombin with benzoyl-Phe-Val-arginine- p-nitroanilide as substrate | J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Bos taurus) | BDBM50046894 (2-(2-Acetylamino-3-methyl-butyrylamino)-4-methyl-p...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arkansas Curated by ChEMBL | Assay Description Inhibition of plasmin with Val-L-Leu-L-lysine-p-nitroanilide as substrate | J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM50046894 (2-(2-Acetylamino-3-methyl-butyrylamino)-4-methyl-p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arkansas Curated by ChEMBL | Assay Description Inhibition of kallikrein with benzoyl-L-arginine ethyl ester as substrate | J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50046894 (2-(2-Acetylamino-3-methyl-butyrylamino)-4-methyl-p...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arkansas Curated by ChEMBL | Assay Description Inhibition of trypsin with benzoyl-L-arginine ethyl ester as substrate | J Med Chem 36: 1084-9 (1993) BindingDB Entry DOI: 10.7270/Q24F1RCR | |||||||||||
More data for this Ligand-Target Pair |