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:
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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(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
Affinity DataIC50: 86nMAssay Description:Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/3/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Mouse)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Rat)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
Affinity DataIC50: 90nMAssay Description:Antagonist activity at human P2X7 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/2/2021
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Mouse)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
6/3/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Mouse)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
Affinity DataIC50: 112nMAssay Description:Antagonist activity at P2X7 receptor in LPS/IFNc-differentiated Swiss mouse peritoneal macrophages assessed as inhibition of ATP-induced IL-1beta rel...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/3/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
Affinity DataIC50: 89nMAssay Description:Antagonist activity at P2X7 receptor in LPS/IFNc-differentiated human THP-1 cells assessed as inhibition of ATP-induced IL-1beta release preincubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/3/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
Affinity DataIC50: 82nMAssay Description:Antagonist activity at human P2X7 receptor expressed in HEK293 cells assessed as inhibition of ATP-induced IL-1beta release preincubated for 30 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/3/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Mouse)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
Affinity DataIC50: 63nMAssay Description:Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of BzATP-induced ethidium iodide uptake after 30 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/3/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Mouse)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Rat)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Rat)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Rat)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Rat)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
Affinity DataIC50: 156nMAssay Description:Antagonist activity at human recombinant P2X7 receptor expressed in human THP1 cells assessed as inhibition of BzATP-induced IL1-beta release by enzy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Rat)
Lundbeck Research Usa

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Instituto De Tecnologia Em F£Rmacos

Curated by ChEMBL
LigandPNGBDBM50234965(A-740003 | N-(1-{[(Cyanoimino)(5-quinolinylamino)m...)
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 Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed