BDBM50250718 2-alpha-(3'-hydroxy-3'-methylglutaroyl)-24,25-dihydroxylanostan-3-one::CHEMBL452658::Clavaric acid
SMILES: C[C@H](CCC(O)C(C)(C)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)C[C@@H](OC(=O)CC(C)(O)CC(O)=O)C(=O)C(C)(C)[C@@H]1CC3
InChI Key: InChIKey=FNHDSKHVYPYDAZ-VCICWZRISA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Type-2 restriction enzyme EcoRI (Escherichia coli) | BDBM50250718 (2-alpha-(3'-hydroxy-3'-methylglutaroyl)-24,25-dihy...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of Escherichia coli ECOR1 | J Nat Prod 66: 1338-44 (2003) Article DOI: 10.1021/np030211s BindingDB Entry DOI: 10.7270/Q2GQ6XHC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein Farnesyltransferase (PFT) (Homo sapiens (Human)) | BDBM50250718 (2-alpha-(3'-hydroxy-3'-methylglutaroyl)-24,25-dihy...) | 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 | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human Farnesyltransferase using Ras-CVIM | J Med Chem 41: 4492-501 (1998) Article DOI: 10.1021/jm980356+ BindingDB Entry DOI: 10.7270/Q23779DQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein Farnesyltransferase (PFT) (Homo sapiens (Human)) | BDBM50250718 (2-alpha-(3'-hydroxy-3'-methylglutaroyl)-24,25-dihy...) | 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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human Farnesyltransferase using Ras-CVLS | J Med Chem 41: 4492-501 (1998) Article DOI: 10.1021/jm980356+ BindingDB Entry DOI: 10.7270/Q23779DQ | |||||||||||
More data for this Ligand-Target Pair |