BDBM13325 4-{[[6-Cyano-1-(3-methyl-3H-imidazol-4-ylmethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-(1-methyl-1H-imidazole-4-sulfonyl)amino]methyl}-piperidine-1-carboxylic Acid tert-Butyl Ester::tert-butyl 4-[({6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(1-methyl-1H-imidazole-4-)sulfonamido)methyl]piperidine-1-carboxylate::tetrahydroquinoline (THQ)-based inhibitor 4g
SMILES: Cn1cnc(c1)S(=O)(=O)N(CC1CCN(CC1)C(=O)OC(C)(C)C)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
InChI Key: InChIKey=MBTVJGVVXHCRCZ-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)) | BDBM13325 (4-{[[6-Cyano-1-(3-methyl-3H-imidazol-4-ylmethyl)-1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.20 | 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...) | BDBM13325 (4-{[[6-Cyano-1-(3-methyl-3H-imidazol-4-ylmethyl)-1...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.10 | 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 |