BDBM19812 [(2S)-1-{3-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanamido]-4-oxopyrrolidin-1-yl}-4-methyl-1-oxopentan-2-yl](methyl)azanium chloride::pyrrolidinone analogue, 29
SMILES: C[NH2+][C@@H](CC(C)C)C(=O)N1CC(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C(=O)C1
InChI Key: InChIKey=FENBNSNVOOUUMD-AHTKWCMKSA-O
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin K (Homo sapiens (Human)) | BDBM19812 ([(2S)-1-{3-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 77 | -9.60 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... | J Med Chem 44: 725-36 (2001) Article DOI: 10.1021/jm000320t BindingDB Entry DOI: 10.7270/Q2J67F6C | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Cathepsin S (Homo sapiens (Human)) | BDBM19812 ([(2S)-1-{3-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... | J Med Chem 44: 725-36 (2001) Article DOI: 10.1021/jm000320t BindingDB Entry DOI: 10.7270/Q2J67F6C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM19812 ([(2S)-1-{3-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GSK | Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... | J Med Chem 44: 725-36 (2001) Article DOI: 10.1021/jm000320t BindingDB Entry DOI: 10.7270/Q2J67F6C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM19812 ([(2S)-1-{3-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 7.30E+3 | -6.93 | n/a | n/a | n/a | n/a | n/a | 5.5 | 22 |
GSK | Assay Description Assays were carried out in the presence of variable concentrations of test compound. Reactions were initiated by addition of enzyme to buffered solut... | J Med Chem 44: 725-36 (2001) Article DOI: 10.1021/jm000320t BindingDB Entry DOI: 10.7270/Q2J67F6C | |||||||||||
More data for this Ligand-Target Pair |