BDBM50076042 (S)-2-({(3S,6S,9aS)-6-[(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-mercapto-propionylamino]-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carbonyl}-amino)-4-methylsulfanyl-butyric acid::CHEMBL170843
SMILES: CSCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@@H](CS)NC(=O)OCC3c4ccccc4-c4ccccc34)C(=O)N12)C(O)=O
InChI Key: InChIKey=CJBARQMSFUNNQA-JCHJKKGQSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Squalene synthase (Homo sapiens (Human)) | BDBM50076042 ((S)-2-({(3S,6S,9aS)-6-[(S)-2-(9H-Fluoren-9-ylmetho...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cold Spring Harbor Laboratory Curated by ChEMBL | Assay Description Compound was evaluated for concentration that caused 50% inhibition of yeast Farnesyltransferase (expressed as a GST fusion protein in E. coli) | Bioorg Med Chem Lett 9: 847-52 (1999) BindingDB Entry DOI: 10.7270/Q21Z43KZ | |||||||||||
More data for this Ligand-Target Pair |