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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 12345   

TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataKi:  40nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataIC50:  1.13E+4nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataIC50:  1.91E+5nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2B6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataIC50:  1.17E+4nMAssay Description:Inhibitory concentration against human cytochrome P-450 2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
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
TargetCytochrome P450 2E1(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataIC50:  1.72E+5nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataIC50:  2.20E+4nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12345(CHEMBL178090 | US8609708, 2 | US8609708, 47 | [5-(...)
Affinity DataIC50:  270nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2A6More data for this Ligand-Target Pair