BindingDB PrimarySearch

BDBM50166893 2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-ethyl)-4-phenyl-butyl]-5-methyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one::BAY-60-7550::CHEMBL370962::US10105349, Bay 60-7550::US10543194, Example Bay 60-7550

SMILES: COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC

InChI Key: InChIKey=MYTWFJKBZGMYCS-NQIIRXRSSA-N

Data: 13 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50166893
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
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.2	25
INTRA-CELLULAR THERAPIES, INC. US Patent					Assay Description Assay: PDE2A is assayed with FL-cAMP as substrate. An enzyme titration is first performed to determine the working concentration of PDE. The concentr...				US Patent US10105349 (2018) BindingDB Entry DOI: 10.7270/Q2QN68T1
INTRA-CELLULAR THERAPIES, INC. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Monash University (Parkville Campus) Curated by ChEMBL					Assay Description Inhibition of human phosphodiesterase 2				J Med Chem 48: 3449-62 (2005) Article DOI: 10.1021/jm040217u BindingDB Entry DOI: 10.7270/Q21G0N2H
Monash University (Parkville Campus) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of PDE2a (unknown origin) using cAMP as substrate after 30 mins by Scintillation proximity assay				J Med Chem 60: 2037-2051 (2017) Article DOI: 10.1021/acs.jmedchem.6b01793 BindingDB Entry DOI: 10.7270/Q2Q242GF
Dart Neuroscience LLC Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	0.860	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan. Curated by ChEMBL					Assay Description Inhibition of PDE2A (unknown origin)				J Med Chem 60: 7658-7676 (2017) Article DOI: 10.1021/acs.jmedchem.7b00709 BindingDB Entry DOI: 10.7270/Q2TT4TD5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 61: 3626-3640 (2018) Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of PDE2A (unknown origin) using [3H]cGMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 60: 7677-7702 (2017) Article DOI: 10.1021/acs.jmedchem.7b00807 BindingDB Entry DOI: 10.7270/Q2P271JR
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Changzhou University Curated by ChEMBL					Assay Description Inhibition of PDE2 (unknown origin) using [3H]cAMP or [3H]cGMP as substrate measured after 30 mins by liquid scintillation counting method				Bioorg Med Chem Lett 29: 481-486 (2019) Article DOI: 10.1016/j.bmcl.2018.12.018
Changzhou University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE2A (unknown origin)				J Med Chem 60: 5673-5698 (2017) Article DOI: 10.1021/acs.jmedchem.7b00397 BindingDB Entry DOI: 10.7270/Q2VX0JNT
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
INTRA-CELLULAR THERAPIES, INC. US Patent					Assay Description r-hPDE2A (Accession No. NM_002599, Homo sapiens phosphodiesterase 2A, cGMP-stimulated, transcript variant 1) A mammalian expression cloning vector wi...				US Patent US10543194 (2020) BindingDB Entry DOI: 10.7270/Q2F47RJZ
INTRA-CELLULAR THERAPIES, INC. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human His-tagged PDE2A catalytic domain (578 to 919 residues) expressed in Escherichia coli BL21-CodonPlus(DE3) cells using cGMP as sub...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Vrije Universiteit Amsterdam Curated by ChEMBL					Assay Description Inhibition of human His-tagged PDE2A catalytic domain (578 to 919 residues) expressed in Escherichia coli BL21-CodonPlus(DE3) cells using cGMP as sub...				J Med Chem 59: 7029-65 (2016) Article DOI: 10.1021/acs.jmedchem.5b01813
Vrije Universiteit Amsterdam Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Changzhou University Curated by ChEMBL					Assay Description Inhibition of PDE2 (unknown origin) using [3H]cAMP as substrate measured after 30 mins by scintillation proximity assay				Bioorg Med Chem Lett 29: 481-486 (2019) Article DOI: 10.1016/j.bmcl.2018.12.018
Changzhou University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50166893 (2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay				J Med Chem 60: 5673-5698 (2017) Article DOI: 10.1021/acs.jmedchem.7b00397 BindingDB Entry DOI: 10.7270/Q2VX0JNT
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)