BindingDB PrimarySearch

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: 20 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50234965
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of BzATP-induced pore formation flux by...				Bioorg Med Chem 17: 4861-5 (2009) Article DOI: 10.1016/j.bmc.2009.05.083 BindingDB Entry DOI: 10.7270/Q22N52B0
University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Fluminense Federal University Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 5 mins fol...				Bioorg Med Chem 27: 1449-1455 (2019) Article DOI: 10.1016/j.bmc.2018.11.036
Fluminense Federal University Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of agonist-induced calcium flux by fluo...				Bioorg Med Chem 17: 4861-5 (2009) Article DOI: 10.1016/j.bmc.2009.05.083 BindingDB Entry DOI: 10.7270/Q22N52B0
University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 2093-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.094 BindingDB Entry DOI: 10.7270/Q2HH6KXV
Abbott Bioresearch Center Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor expressed in human 1321N1 cells assessed as inhibition of agonist-induced calcium flux by fluoro...				Bioorg Med Chem 17: 4861-5 (2009) Article DOI: 10.1016/j.bmc.2009.05.083 BindingDB Entry DOI: 10.7270/Q22N52B0
University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of calcium flux by FLIPR assay				Bioorg Med Chem Lett 18: 2093-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.094 BindingDB Entry DOI: 10.7270/Q2HH6KXV
Abbott Bioresearch Center Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at rat cloned P2X7 receptor expressed in HEK293 cells assessed as inhibition of calcium flux by FLIPR assay				J Med Chem 52: 3366-76 (2009) Article DOI: 10.1021/jm8015848 BindingDB Entry DOI: 10.7270/Q2348MMG
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Antagonist activity at human cloned P2X7 receptor expressed in HEK293 cells assessed as inhibition of calcium flux by FLIPR assay				J Med Chem 52: 3366-76 (2009) Article DOI: 10.1021/jm8015848 BindingDB Entry DOI: 10.7270/Q2348MMG
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake				J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (P2X7) (Rattus norvegicus (Rat))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Activity at rat P2X7 receptor expressed in HEK cells assessed as effect on BzATP-induced ethidium uptake				J Med Chem 52: 3123-41 (2009) Article DOI: 10.1021/jm801528x BindingDB Entry DOI: 10.7270/Q2251KDR
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	897	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Oswaldo Cruz Curated by ChEMBL					Assay Description Antagonist activity at P2X7R in Swiss Webster mouse peritoneal macrophages assessed as inhibition of ATP-induced propidium iodide uptake preincubated...				Eur J Med Chem 143: 1361-1372 (2018) Article DOI: 10.1016/j.ejmech.2017.10.033 BindingDB Entry DOI: 10.7270/Q2KS6V7K
Instituto Oswaldo Cruz Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Oswaldo Cruz Curated by ChEMBL					Assay Description Antagonist activity at human P2X7R expressed in HEK293 cells assessed as inhibition of ATP-induced ethidium iodide uptake preincubated for 10 mins fo...				Eur J Med Chem 143: 1361-1372 (2018) Article DOI: 10.1016/j.ejmech.2017.10.033 BindingDB Entry DOI: 10.7270/Q2KS6V7K
Instituto Oswaldo Cruz Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced contraction of rat isolated thoracic aortic strip				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induced platelet aggregation in human whole blood				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 4 receptor in non-electrically stimulated guinea-pig ileum.				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Tested for inhibitory potency against rat liver microsomal squalene synthase				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Mus musculus)	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					Assay Description Antagonist activity at P2X7 receptor in Swiss mouse peritoneal macrophages assessed as inhibition of BzATP-induced current at holding potential of -6...				Eur J Med Chem 139: 698-717 (2017) Article DOI: 10.1016/j.ejmech.2017.08.034 BindingDB Entry DOI: 10.7270/Q2TX3HWC
Instituto de Tecnologia em F£rmacos Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Gwangju Institute of Science and Technology (GIST) Curated by ChEMBL					Assay Description Antagonist activity at human P2X7 receptor				J Med Chem 59: 7410-30 (2016) Article DOI: 10.1021/acs.jmedchem.5b01690
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM50234965 (A-740003 \| CHEMBL255787 \| N-(1-(2-cyano-3-(quinoli...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2X7 receptor expressed in human THP1 cells assessed as inhibition of BzATP-induced IL1beta release by enzym...				Bioorg Med Chem 17: 4861-5 (2009) Article DOI: 10.1016/j.bmc.2009.05.083 BindingDB Entry DOI: 10.7270/Q22N52B0
University of Sydney Curated by ChEMBL					More data for this Ligand-Target Pair