BDBM22459 2-(cyclooctylamino)-5-methyl-5-propyl-4,5-dihydro-1,3-thiazol-4-one::2-Amino-1,3-thiazol-4(5H)-one, 6d

SMILES CCC[C@]1(C(=O)N=C(S1)NC2CCCCCCC2)C

InChI Key InChIKey=SBTHYUAUBLEDJY-UHFFFAOYSA-N

Data  1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 22459   

LigandPNGBDBM22459(2-(cyclooctylamino)-5-methyl-5-propyl-4,5-dihydro-...)
Affinity DataIC50: 1.00E+4nMAssay Description:The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2008
Entry Details Article
PubMed
LigandPNGBDBM22459(2-(cyclooctylamino)-5-methyl-5-propyl-4,5-dihydro-...)
Affinity DataKi:  28nM ΔG°:  -10.2kcal/molepH: 7.2 T: 2°CAssay Description:The 11beta-HSD1 enzyme assay was carried out in the replica plates of the compounds in reaction buffer containing substrate mixture [3H]-cortisone/NA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2008
Entry Details Article
PubMedPDB3D3D Structure (crystal)