BDBM50344121 CHEMBL1777979::N-((R)-6-((neopentylamino)methyl)-1,2,3,4-tetrahydronaphthalen-1-yl)-2-((R)-3-oxo-1-tosylpiperazin-2-yl)acetamide

SMILES Cc1ccc(cc1)S(=O)(=O)N1CCNC(=O)[C@H]1CC(=O)N[C@@H]1CCCc2cc(CNCC(C)(C)C)ccc12

InChI Key InChIKey=DPOWGCZOKVGFCN-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 = 50344121   

TargetB1 bradykinin receptor(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50344121(N-((R)-6-((neopentylamino)methyl)-1,2,3,4-tetrahyd...)
Affinity DataKi:  1.60nMAssay Description:Antagonist activity at human bradykinin B1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetB1 bradykinin receptor(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50344121(N-((R)-6-((neopentylamino)methyl)-1,2,3,4-tetrahyd...)
Affinity DataIC50: 2.30nMAssay Description:Antagonist activity at human bradykinin B1 receptor expressed in CHO cells assessed as inhibition of agonist-induced calcium efflux by aquerin based ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50344121(N-((R)-6-((neopentylamino)methyl)-1,2,3,4-tetrahyd...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of CYP3A4 preincubated for 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Amgen

Curated by ChEMBL
LigandPNGBDBM50344121(N-((R)-6-((neopentylamino)methyl)-1,2,3,4-tetrahyd...)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed