BDBM50386388 CHEMBL2046877

SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)N=C(N)c2ccsc2)cc1

InChI Key InChIKey=ZCKDTLAYEJZFOJ-UHFFFAOYSA-N

Data  1 KI  3 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 4 hits for monomerid = 50386388   

TargetMu-type opioid receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50386388(CHEMBL2046877)
Affinity DataKi:  12nMAssay Description:Displacement of [3H]DAMGO from human mu opioid receptor expressed in HEK-293 cells by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetNitric oxide synthase, brain(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50386388(CHEMBL2046877)
Affinity DataIC50: 2.76E+3nMAssay Description:Inhibition of human recombinant nNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetNitric oxide synthase, endothelial(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50386388(CHEMBL2046877)
Affinity DataIC50: 2.95E+4nMAssay Description:Inhibition of human recombinant eNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetNitric oxide synthase, inducible(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50386388(CHEMBL2046877)
Affinity DataIC50: 1.18E+5nMAssay Description:Inhibition of human recombinant iNOS assessed as conversion of [3H]L-arginine to [3H]L-citrulline preincubated for 15 mins measured after 45 mins by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed