BDBM12345 CHEMBL178090::US8609708, 2::US8609708, 47::[5-(pyridin-3-yl)furan-2-yl]methanamine::nicotine 3-heteroaromatic analogue 2a

SMILES NCc1ccc(o1)-c1cccnc1

InChI Key InChIKey=LENAVORGWBTPJR-UHFFFAOYSA-N

Data  3 KI  12 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 12345   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataKi:  2.36E+4nMAssay Description:To measure CYP3A4 activity, testosterone 6-hydroxylation was determined. After reactions were terminated, the organic phase was collected and removed...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataIC50:  4.72E+4nMAssay Description:To gain insight into the selectivity of the synthetic compounds, nicotine, nicotine related alkaloids and nicotine metabolites for inhibition of othe...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCytochrome P450 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataIC50:  4.71E+4nMAssay Description:Inhibitory concentration value against human cytochrome P-450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed