BDBM13331 N-tert-butyl-2-({6-isocyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridine-2-)sulfonamido)acetamide::N1-(tert-butyl)-N2-{6-isocyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}-N2-(pyridin-2-ylsulfonyl)glycinamide::tetrahydroquinoline (THQ)-based inhibitor 4m
SMILES: Cn1cncc1CN1CC(Cc2cc(ccc12)[N+]#[C-])N(CC(=O)NC(C)(C)C)S(=O)(=O)c1ccccn1
InChI Key: InChIKey=GZCBQVAEYLEZKD-UHFFFAOYSA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein farnesyltransferase (Rattus norvegicus (rat)) | BDBM13331 (N-tert-butyl-2-({6-isocyano-1-[(1-methyl-1H-imidaz...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Washington at Seattle | Assay Description Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal... | J Med Chem 48: 3704-13 (2005) Article DOI: 10.1021/jm0491039 BindingDB Entry DOI: 10.7270/Q2BC3WSQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein Farnesyltransferase (PFT) (Plasmodium falciparum (malaria parasite P. falcipa...) | BDBM13331 (N-tert-butyl-2-({6-isocyano-1-[(1-methyl-1H-imidaz...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | 7.5 | 37 |
University of Washington at Seattle | Assay Description Assays for PFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). IC50 values were cal... | J Med Chem 48: 3704-13 (2005) Article DOI: 10.1021/jm0491039 BindingDB Entry DOI: 10.7270/Q2BC3WSQ | |||||||||||
More data for this Ligand-Target Pair |