BDBM13746 2-((S)-1-(2-fluorophenyl)ethylamino)-5-isopropyl-5-methylthiazol-4(5H)-one::2-(S)-Phenethylamine analog 8::2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-5-methyl-5-(propan-2-yl)-4,5-dihydro-1,3-thiazol-4-one
SMILES: CC(C)C1(C)SC(N[C@@H](C)c2ccccc2F)=NC1=O
InChI Key: InChIKey=PKOUEAKRBUYDJE-MYHCZTBNSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
11-beta-hydroxysteroid dehydrogenase 1 (Homo sapiens (Human)) | BDBM13746 (2-((S)-1-(2-fluorophenyl)ethylamino)-5-isopropyl-5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3 | -11.5 | n/a | n/a | n/a | n/a | n/a | 7.2 | 22 |
Amgen | Assay Description Enzyme assays were performed using purified recombinant human or mouse11beta-HSD1. The fractional conversion of cortisone to cortisol was used to det... | J Med Chem 50: 429-32 (2007) Article DOI: 10.1021/jm061214f BindingDB Entry DOI: 10.7270/Q20Z71JH | |||||||||||
More data for this Ligand-Target Pair |