BindingDB PrimarySearch

BDBM50236225 CHEMBL4074744

SMILES: Cc1cc([C@@H]2CN(CC(F)(F)C2)C(=O)c2ccc(F)c(Br)c2)n2ncnc2n1

InChI Key: InChIKey=TTWAYHJJEHLVNR-LBPRGKRZSA-N

Data: 11 IC50 1 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50236225
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of PDE4D3 (unknown origin) using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured after 30 mi...				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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of PDE10A1 (unknown origin) using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured after 30 m...				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
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal GST-tagged PDE9A2 expressed in Baculovirus infected Sf9 insect cells using cGMP as substrate				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
Phosphodiesterase 11A (Homo sapiens (Human))	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal GST-tagged PDE11A4 expressed in Baculovirus infected Sf9 insect cells using cAMP as substrate				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
Phosphodiesterase 2A (Rattus norvegicus)	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	670	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of PDE2a in rat primary cortical neurons assessed as increase in Bay 41-8543-stimulated intracellular cGMP level preincubated for 30 mins ...				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)
Phosphodiesterase 3 and 5 (PDE3 and PDE5) (Homo sapiens (Human))	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Agonistic activity evaluated in CHO(Chinese hamster ovary) cells expressing mGluR2 receptor				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
Phosphodiesterase 8 (Homo sapiens (Human))	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal GST-tagged PDE8A1 expressed in Baculovirus infected Sf9 insect cells using cAMP as substrate				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
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of PDE7A (unknown origin) using fluorescently labeled cAMP as substrate				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
Phosphodiesterase 6C (PDE6C) (Homo sapiens (Human))	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of PDE6C (unknown origin) expressed in Baculovirus infected Sf9 insect cells using cGMP as substrate				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
Phosphodiesterase 2 and 5 (PDE2 and PDE5) (Homo sapiens (Human))	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of PDE5A1 (unknown origin) expressed in Baculovirus infected Sf9 insect cells using fluorescently labeled cGMP as substrate by fluorescenc...				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
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of PDE1B (unknown origin) using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured after 30 min...				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
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50236225 (CHEMBL4074744) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...				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)