BDBM13307 1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(4-cyanophenyl)-(3-methyl-3H-imidazol-4-ylmethyl)amino]ethyl}amide::Chem Biol Compound 2::N-benzyl-N-{2-[(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino]ethyl}-1-methyl-1H-imidazole-4-sulfonamide::Sulfonamide 12d
SMILES: Cn1cnc(c1)S(=O)(=O)N(CCN(Cc1cncn1C)c1ccc(cc1)C#N)Cc1ccccc1
InChI Key: InChIKey=IDHGAQOVWWBGFK-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...) | BDBM13307 (1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Yale University | 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 49: 5710-27 (2006) Article DOI: 10.1021/jm060081v BindingDB Entry DOI: 10.7270/Q2G44NJW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein farnesyltransferase (Rattus norvegicus (rat)) | BDBM13307 (1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Yale University | 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 49: 5710-27 (2006) Article DOI: 10.1021/jm060081v BindingDB Entry DOI: 10.7270/Q2G44NJW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protein Farnesyltransferase (PFT) (Homo sapiens (Human)) | BDBM13307 (1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 56 | n/a | n/a | n/a | n/a | 7.7 | 30 |
Duke University Medical Center | Assay Description In vitro inhibition assay of human PFT was done by measuring the incorporation of [3H] FPP (Amersham Biosciences, Piscataway, NJ) into wild type H-Ra... | Chem Biol 16: 181-92 (2009) Article DOI: 10.1016/j.chembiol.2009.01.014 BindingDB Entry DOI: 10.7270/Q22F7KR8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) (Homo sapiens (Human)) | BDBM13307 (1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of human geranylgeranyltransferase-1 assessed as incorporation of [3H]GGPP into H-Ras-CVLL | J Med Chem 53: 6867-88 (2010) Article DOI: 10.1021/jm1001748 BindingDB Entry DOI: 10.7270/Q26110JC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit (Mus musculus) | BDBM13307 (1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of H-Ras farnesylation expressed in mouse NIH3T3 cells | J Med Chem 53: 6867-88 (2010) Article DOI: 10.1021/jm1001748 BindingDB Entry DOI: 10.7270/Q26110JC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protein Farnesyltransferase (PFT) (Homo sapiens (Human)) | BDBM13307 (1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of human farnesyltransferase assessed as incorporation of [3H]FPP into H-Ras-CVLS | J Med Chem 53: 6867-88 (2010) Article DOI: 10.1021/jm1001748 BindingDB Entry DOI: 10.7270/Q26110JC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Geranylgeranyl transferase type 1 (Mus musculus) | BDBM13307 (1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University Curated by ChEMBL | Assay Description Inhibition of Rap1A-mediated geranylgeranylation expressed in mouse NIH3T3 cells | J Med Chem 53: 6867-88 (2010) Article DOI: 10.1021/jm1001748 BindingDB Entry DOI: 10.7270/Q26110JC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protein Farnesyltransferase (PFT) (Plasmodium falciparum (malaria parasite P. falcipa...) | BDBM13307 (1-Methyl-1H-imidazole-4-sulfonic Acid Benzyl-{2-[(...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | 7.5 | 37 |
Duke University Medical Center | Assay Description Assays for PfPFT activity were performed with a PFT-specific scintillation assay (SPA) kit (Amersham Biosciences, Piscataway, NJ). An amount of 1 uM ... | Chem Biol 16: 181-92 (2009) Article DOI: 10.1016/j.chembiol.2009.01.014 BindingDB Entry DOI: 10.7270/Q22F7KR8 | |||||||||||
More data for this Ligand-Target Pair |