BDBM50234965 A-740003::CHEMBL255787::N-(1-(2-cyano-3-(quinolin-5-yl)guanidino)-2,2-dimethylpropyl)-2-(3,4-dimethoxyphenyl)acetamide::N-(1-{[(Cyanoimino)(5-quinolinylamino)methyl]amino}-2,2-dimethylpropyl)-2-(3,4-dimethoxyphenyl)acetamide

SMILES COc1ccc(CC(=O)NC(N=C(NC#N)Nc2cccc3ncccc23)C(C)(C)C)cc1OC

InChI Key InChIKey=PUHSRMSFDASMAE-UHFFFAOYSA-N

Data  2 KI  25 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 27 hits for monomerid = 50234965   

TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataKi:  59nMAssay Description:Displacement of [3H]-A-804598 from rat P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataKi:  130nMAssay Description:Displacement of [3H]-A-804598 from human P2X7 receptor expressed in HEK293 cell membrane by in vitro binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  40nMAssay Description:Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of agonist-induced calcium flux by fluo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  44nMAssay Description:Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  18nMAssay Description:Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of agonist-induced calcium flux by fluoro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  18nMAssay Description:Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  19.9nMAssay Description:Antagonist activity at rat cloned P2X7 receptor expressed in HEK293 cells assessed as inhibition of calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  39.8nMAssay Description:Antagonist activity at human cloned P2X7 receptor expressed in HEK293 cells assessed as inhibition of calcium flux by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  39.8nMAssay Description:Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  19.9nMAssay Description:Activity at rat P2X7 receptor expressed in HEK cells assessed as effect on BzATP-induced ethidium uptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Mus musculus)
Instituto Oswaldo Cruz

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  897nMAssay Description:Antagonist activity at P2X7R in Swiss Webster mouse peritoneal macrophages assessed as inhibition of ATP-induced propidium iodide uptake preincubated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  109nMAssay Description:Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10 mins fo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Mus musculus)
Instituto Oswaldo Cruz

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  63nMAssay Description:In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic stripMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  86nMAssay Description:In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced platelet aggregation in human whole bloodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  82nMAssay Description:Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 4 receptor in non-electrically stimulated guinea-pig ileum.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  89nMAssay Description:Tested for inhibitory potency against rat liver microsomal squalene synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Mus musculus)
Instituto Oswaldo Cruz

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  112nMAssay Description:Tested for inhibitory potency against rat liver microsomal squalene synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Mus musculus)
Instituto Oswaldo Cruz

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  47nMAssay Description:Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of BzATP-induced current at holding potential of -6...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  90nMAssay Description:Antagonist activity at human P2X7 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  750nMAssay Description:Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 5 mins fol...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  81nMAssay Description:Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Rattus norvegicus (Rat))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  4nMAssay Description:Antagonist activity at rat P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by FLI...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Mus musculus)
Instituto Oswaldo Cruz

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  250nMAssay Description:Antagonist activity at mouse P2X7 receptor expressed in HEK293 cells assessed as inhibition of BzATP-induced calcium-flux measured after 60 mins by F...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  92nMAssay Description:Antagonist activity at human P2X7R expressed in differentiated human THP-1 cells assessed as reduction in BzATP induced YO-PRO uptake by cells incuba...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  156nMAssay Description:Antagonist activity at human P2X7R expressed in differentiated human THP-1 cells assessed as reduction in BzATP induced IL-1beta release incubated fo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  92nMAssay Description:Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced pore formation flux by...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2X purinoceptor 7(Homo sapiens (Human))
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | CHEMBL255787 | N-(1-(2-cyano-3-(quinoli...)
Affinity DataIC50:  156nMAssay Description:Antagonist activity at human recombinant P2X7 receptor expressed in human THP1 cells assessed as inhibition of BzATP-induced IL1beta release by enzym...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed