BDBM50293901 CHEMBL559565::cyclohexanecarboxylic acid{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-amide

SMILES Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3CNC(=O)C3CCCCC3)c2n1

InChI Key InChIKey=QUNIRDORWCGMDO-UHFFFAOYSA-N

Data  4 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 = 50293901   

TargetB2 bradykinin receptor(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50293901(CHEMBL559565 | cyclohexanecarboxylic acid{4-methyl...)
Affinity DataIC50:  1.80nMAssay Description:Antagonist activity at B2 receptor in human HF15 cells assessed as inhibition of bradykinin-induced calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50293901(CHEMBL559565 | cyclohexanecarboxylic acid{4-methyl...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of human CYP2C19 by microtiter plate assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50293901(CHEMBL559565 | cyclohexanecarboxylic acid{4-methyl...)
Affinity DataIC50:  2.50E+3nMAssay Description:Inhibition of human CYP3A4 by microtiter plate assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetB2 bradykinin receptor(Homo sapiens (Human))
Jerini

Curated by ChEMBL
LigandPNGBDBM50293901(CHEMBL559565 | cyclohexanecarboxylic acid{4-methyl...)
Affinity DataIC50:  10nMAssay Description:Displacement of [3H]bradykinin from human recombinant B2 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed