BDBM50158471 CHEMBL3781694

SMILES Cc1c(cccc1F)[C@H]2COC(=N2)N

InChI Key InChIKey=IOHOUWIYOVWGHV-UHFFFAOYSA-N

Data  3 IC50  2 EC50

PDB links: 2 PDB IDs match 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50158471   

TargetCytochrome P450 3A4(Human)
Roche Innovation Center Basel

Curated by ChEMBL
LigandPNGBDBM50158471(CHEMBL3781694)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Roche Innovation Center Basel

Curated by ChEMBL
LigandPNGBDBM50158471(CHEMBL3781694)
Affinity DataIC50: 3.20E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Roche Innovation Center Basel

Curated by ChEMBL
LigandPNGBDBM50158471(CHEMBL3781694)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details Article
PubMed
TargetTrace amine-associated receptor 1(Human)
Roche Innovation Center Basel

Curated by ChEMBL
LigandPNGBDBM50158471(CHEMBL3781694)
Affinity DataEC50:  17nMAssay Description:Agonist activity at human TAAR1 expressed in recombinant HEK293 cells assessed as cAMP accumulation after 30 mins by luminometerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTrace amine-associated receptor 1(Rat)
Roche Innovation Center Basel

Curated by ChEMBL
LigandPNGBDBM50158471(CHEMBL3781694)
Affinity DataEC50:  35nMAssay Description:Agonist activity at rat TAAR1 expressed in recombinant HEK293 cells assessed as cAMP accumulation after 30 mins by luminometerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/18/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)