BindingDB PrimarySearch

BDBM50026821 CHEMBL3331521::US9669035, B-1b

SMILES: CCCCOc1cncc(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12

InChI Key: InChIKey=JJQZDOKXARNTKH-UHFFFAOYSA-N

Data: 18 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50026821
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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) 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 Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	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
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) 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 Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphodiesterase 11A (PDE11A) (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of human PDE11A4 expressed in Sf9 cells by scintillation counting method				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphodiesterase 9A (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of human PDE9A1 expressed in Sf9 cells by scintillation counting method				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of human PDE7A1 expressed in Sf9 cells by scintillation counting method				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of human PDE4D by scintillation counting method				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase B (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of human PDE3B by scintillation counting method				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of human PDE1A by scintillation counting method				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of rat PDE10A expressed in Sf9 cells incubated for 60 mins using [3H]-cAMP substrate by scintillation counting method				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of human PDE2A expressed in Sf9 cells incubated for 40 mins using [3H]-cGMP substrate by scintillation counting method				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	7.8	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Human recombinant PDE2A (hPDE2A) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of inf...				US Patent US9669035 (2017) BindingDB Entry DOI: 10.7270/Q2Z60M6H
JANSSEN PHARMACEUTICA NV US Patent					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	7.8	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Rat recombinant PDE10A (rPDE10A2) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of in...				US Patent US9669035 (2017) BindingDB Entry DOI: 10.7270/Q2Z60M6H
JANSSEN PHARMACEUTICA NV US Patent					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	7.8	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Human recombinant PDE2A (hPDE2A) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of inf...				US Patent US9669035 (2017) BindingDB Entry DOI: 10.7270/Q2Z60M6H
JANSSEN PHARMACEUTICA NV US Patent					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	7.8	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description Rat recombinant PDE10A (rPDE10A2) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of in...				US Patent US9669035 (2017) BindingDB Entry DOI: 10.7270/Q2Z60M6H
JANSSEN PHARMACEUTICA NV US Patent					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50026821 (CHEMBL3331521 \| US9669035, B-1b) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes				ACS Med Chem Lett 5: 1049-53 (2014) Article DOI: 10.1021/ml500262u BindingDB Entry DOI: 10.7270/Q2QN68DN
Janssen Pharmaceutica NV Curated by ChEMBL					More data for this Ligand-Target Pair