BDBM50143597 (S)-2-(2-[2-(4-Fluoro-phenyl)-ethyl]-5-{[(1S,4S)-4-(pyridine-3-carbonylsulfanyl)-pyrrolidin-2-ylmethyl]-amino}-benzoylamino)-4-methylsulfanyl-butyric acid isopropyl ester::CHEMBL53670
SMILES: CSCC[C@H](NC(=O)c1cc(NC[C@@H]2C[C@@H](CN2)SC(=O)c2cccnc2)ccc1CCc1ccc(F)cc1)C(=O)OC(C)C
InChI Key: InChIKey=HKGUHEGKBLYKHY-QMOZSOIISA-N
Data: 2 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein Farnesyltransferase (PFT) Chain B (Homo sapiens (Human)) | BDBM50143597 ((S)-2-(2-[2-(4-Fluoro-phenyl)-ethyl]-5-{[(1S,4S)-4...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition binding constant against Farnesyltransferase | J Med Chem 47: 1869-78 (2004) Article DOI: 10.1021/jm0305467 BindingDB Entry DOI: 10.7270/Q2RX9CVX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) (Homo sapiens (Human)) | BDBM50143597 ((S)-2-(2-[2-(4-Fluoro-phenyl)-ethyl]-5-{[(1S,4S)-4...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem | Article PubMed | 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition binding constant against Geranylgeranyl transferase type I | J Med Chem 47: 1869-78 (2004) Article DOI: 10.1021/jm0305467 BindingDB Entry DOI: 10.7270/Q2RX9CVX | |||||||||||
More data for this Ligand-Target Pair |