BDBM50257059 CHEMBL4082854

SMILES Cc1cc(Oc2cncnc2)cc(n1)C(=O)Nc1ccc(Cl)cn1

InChI Key InChIKey=BDRDKDJERFXQSP-UHFFFAOYSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50257059   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Vanderbilt University Institute of Imaging Science

Curated by ChEMBL
LigandPNGBDBM50257059(CHEMBL4082854)
Affinity DataIC50:  1.64E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Vanderbilt University Institute of Imaging Science

Curated by ChEMBL
LigandPNGBDBM50257059(CHEMBL4082854)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 5 mins followed by NADPH addition measured after ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Vanderbilt University Institute of Imaging Science

Curated by ChEMBL
LigandPNGBDBM50257059(CHEMBL4082854)
Affinity DataIC50:  6.80nMAssay Description:Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Vanderbilt University Institute of Imaging Science

Curated by ChEMBL
LigandPNGBDBM50257059(CHEMBL4082854)
Affinity DataIC50:  900nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using tacrine as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins by...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetMetabotropic glutamate receptor 5(Rattus norvegicus (Rat))
Vanderbilt University Institute of Imaging Science

Curated by ChEMBL
LigandPNGBDBM50257059(CHEMBL4082854)
Affinity DataIC50:  6.80nMAssay Description:Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate induced-calcium mobilization prei...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Vanderbilt University Institute of Imaging Science

Curated by ChEMBL
LigandPNGBDBM50257059(CHEMBL4082854)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 5 mins followed by NADPH addition measured after 8 mins...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed