BDBM13319 BMS-386914::CHEMBL183536::[[6-Cyano-1-(3-methyl-3H-imidazol-4-ylmethyl)-1,2,3,4-tetrahydroquinolin-3-yl]-(1-methyl-1H-imidazole-4-sulfonyl)amino]-acetic Acid tert-Butyl Ester::tert-butyl 2-({6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(1-methyl-1H-imidazole-4-)sulfonamido)acetate::tetrahydroquinoline (THQ)-based inhibitor 4a
SMILES: Cn1cnc(c1)S(=O)(=O)N(CC(=O)OC(C)(C)C)C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N
InChI Key: InChIKey=NLCBWQRVYLSINY-UHFFFAOYSA-N
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 (PFT) (Plasmodium falciparum (malaria parasite P. falcipa...) | BDBM13319 (BMS-386914 | CHEMBL183536 | [[6-Cyano-1-(3-methyl-...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.900 | 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 | |||||||||||||
Protein Farnesyltransferase (PFT) (Homo sapiens (Human)) | BDBM13319 (BMS-386914 | CHEMBL183536 | [[6-Cyano-1-(3-methyl-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of human farnesyltransferase | Bioorg Med Chem Lett 15: 1895-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.004 BindingDB Entry DOI: 10.7270/Q2RB75CJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit (Rattus norvegicus-Rattus norvegicus (rat)) | BDBM13319 (BMS-386914 | CHEMBL183536 | [[6-Cyano-1-(3-methyl-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of cellular reversion in H-ras transformed Rat-1 cells | Bioorg Med Chem Lett 15: 1895-9 (2005) Article DOI: 10.1016/j.bmcl.2005.02.004 BindingDB Entry DOI: 10.7270/Q2RB75CJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein farnesyltransferase (Rattus norvegicus (rat)) | BDBM13319 (BMS-386914 | CHEMBL183536 | [[6-Cyano-1-(3-methyl-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.20 | 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 |