BDBM205457 (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid::Celastrol::US11660306, Example Celastrol::acs.jmedchem.1c00409_ST.357

SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O

InChI Key InChIKey=KQJSQWZMSAGSHN-JJWQIEBTSA-N

Data  3 KI  7 IC50  1 Kd

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 = 205457   

TargetL-ornithine N(5)-monooxygenase(Aspergillus fumigatus (Fungus))
Virginia Tech

LigandPNGBDBM205457((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...)
Affinity DataIC50:  1.10E+4nMpH: 7.5Assay Description:Briefly, this assay consists of the formation of nitrite from hydroxyl amine that is quantified by formation of a chromophore with α-naphthylami...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetL-ornithine N(5)-monooxygenase(Aspergillus fumigatus (Fungus))
Virginia Tech

LigandPNGBDBM205457((2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9...)
Affinity DataKd:  1.40E+3nMpH: 7.0Assay Description:The 96 well plates were used, and the reaction volume was 25 μL using 50 mM sodium phosphate buffer (pH 7.0). For the screening, 30 nM of ADP-TA...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed