BDBM82069 CAS_21906::CHEMBL664::Cotinine fumarate::NSC_21906

SMILES CN1C(CCC1=O)c1cccnc1

InChI Key InChIKey=UIKROCXWUNQSPJ-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 82069   

TargetNicotinic acetylcholine receptor(RAT)
R. J. Reynolds Tobacco

Curated by PDSP Ki Database
LigandPNGBDBM82069(CAS_21906 | CHEMBL664 | Cotinine fumarate | NSC_21...)
Affinity DataKi:  5.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCytochrome P450 2A5(Mus musculus)
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM82069(CAS_21906 | CHEMBL664 | Cotinine fumarate | NSC_21...)
Affinity DataIC50:  1.50E+6nMAssay Description:Inhibition of mouse CYP2A5More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Jadavpur University

Curated by ChEMBL
LigandPNGBDBM82069(CAS_21906 | CHEMBL664 | Cotinine fumarate | NSC_21...)
Affinity DataIC50:  3.50E+7nMAssay Description:Inhibition of human CYP2A6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed