BDBM13740 2-(benzylamino)-5-isopropyl-5-methylthiazol-4(5H)-one::2-(benzylamino)-5-methyl-5-(propan-2-yl)-4,5-dihydro-1,3-thiazol-4-one::2-Benzylamine analog 2
SMILES: CC(C)C1(C)SC(NCc2ccccc2)=NC1=O
InChI Key: InChIKey=IUURRDZAZOQTCE-UHFFFAOYSA-N
Data: 1 KI
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM13740 (2-(benzylamino)-5-isopropyl-5-methylthiazol-4(5H)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 65 | -9.70 | 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 |