BDBM50618027 CHEMBL5401020

SMILES CCc1ncc(-c2cc(C)no2)c(n1)C1CCN(CC(=O)N2CCOCC2)CC1

InChI Key InChIKey=HPBOMWKBZHYYGE-UHFFFAOYSA-N

Data  2 KI  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 8 hits for monomerid = 50618027   

TargetSigma intracellular receptor 2(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50618027(CHEMBL5401020)
Affinity DataKi:  13nMAssay Description:Displacement of [3H]-1,3-di-O-tolylguanidine from human sigma 2 receptor/TMEM97 transfected in sigma 1 receptor knockout HEK293 cell membranes assess...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50618027(CHEMBL5401020)
Affinity DataKi:  1.78E+3nMAssay Description:Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cell membranes assessed as inhibition constant incubated for 12...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50618027(CHEMBL5401020)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of hERG expressed in CHO cells at holding potential of -80 mV measured for 15 seconds by whole cell patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50618027(CHEMBL5401020)
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate incubated for 20 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50618027(CHEMBL5401020)
Affinity DataIC50: 6.00E+5nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate incubated for 20 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50618027(CHEMBL5401020)
Affinity DataIC50: 9.00E+5nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using S mephenytoin as substrate incubated for 20 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 1A2(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50618027(CHEMBL5401020)
Affinity DataIC50: 9.00E+5nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate incubated for 20 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Welab Barcelona

Curated by ChEMBL
LigandPNGBDBM50618027(CHEMBL5401020)
Affinity DataIC50: 9.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate incubated for 20 mins by UPLC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed