BDBM22948 1-[(1R,2S)-2-hydroxy-1-(2-naphthalen-1-ylethyl)propyl]-1H-imidazole-4-carboxamide::1-[(3R,4S)-4-hydroxy-1-(naphthalen-1-yl)pentan-3-yl]-1H-imidazole-4-carboxamide::CHEMBL93560::imidazole-4-carboxamide analogue, 5

SMILES C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(c1)C(N)=O

InChI Key InChIKey=OODDZQQDDOVCFD-UHFFFAOYSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 22948   

TargetAdenosine deaminase(Human)
Fujisawa Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM22948(CHEMBL93560 | 1-[(3R,4S)-4-hydroxy-1-(naphthalen-1...)
Affinity DataIC50: 16nMAssay Description:Inhibitory concentration against adenosine deaminaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine deaminase(Mouse)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM22948(CHEMBL93560 | 1-[(3R,4S)-4-hydroxy-1-(naphthalen-1...)
Affinity DataKi:  3.60nMAssay Description:Binding affinity to recombinant mouse ADA assessed as inhibition constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/24/2023
Entry Details
PubMed
TargetAdenosine deaminase(Human)
Fujisawa Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM22948(CHEMBL93560 | 1-[(3R,4S)-4-hydroxy-1-(naphthalen-1...)
Affinity DataKi:  11nM ΔG°:  -10.7kcal/molepH: 7.4 T: 2°CAssay Description:The reaction velocity was measured by change in absorbance at 265nm (A265) resulting from the deamination of adenosine. The reaction was started by a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2008
Entry Details Article
PubMed