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BDBM50224866 ISOBUTYRAMIDE::Isobutyramide

SMILES: CC(C)C(N)=O

InChI Key: InChIKey=WFKAJVHLWXSISD-UHFFFAOYSA-N

Data: 2 KI

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50224866   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Alcohol dehydrogenase S chain


(Equus caballus)
BDBM50224866
PNG
(ISOBUTYRAMIDE | Isobutyramide)
Show SMILES CC(C)C(N)=O
Show InChI InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
1.70E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against horse liver alcohol dehydrogenase (ADH)


J Med Chem 29: 615-20 (1986)


Article DOI: 10.1021/jm00155a005
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alcohol dehydrogenase


(Equus caballus)
BDBM50224866
PNG
(ISOBUTYRAMIDE | Isobutyramide)
Show SMILES CC(C)C(N)=O
Show InChI InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
2.20E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition against horse liver alcohol dehydrogenase


J Med Chem 26: 916-22 (1983)


Article DOI: 10.1021/jm00360a024
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)