BDBM50026826 CHEMBL3331517::US9669035, B-2

SMILES: CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12

InChI Key: InChIKey=GSHAVWDELPHUJH-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50026826   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM50026826 (CHEMBL3331517 | US9669035, B-2) Show SMILES CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12 Show InChI InChI=1S/C25H28ClN5O2/c1-3-4-11-33-19-6-7-21(26)20(15-19)25-29-28-24-17(2)27-22-8-5-18(14-23(22)31(24)25)16-30-9-12-32-13-10-30/h5-8,14-15H,3-4,9-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.62E+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
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM50026826 (CHEMBL3331517 | US9669035, B-2) Show SMILES CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12 Show InChI InChI=1S/C25H28ClN5O2/c1-3-4-11-33-19-6-7-21(26)20(15-19)25-29-28-24-17(2)27-22-8-5-18(14-23(22)31(24)25)16-30-9-12-32-13-10-30/h5-8,14-15H,3-4,9-13,16H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60E+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
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50026826 (CHEMBL3331517 | US9669035, B-2) Show SMILES CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12 Show InChI InChI=1S/C25H28ClN5O2/c1-3-4-11-33-19-6-7-21(26)20(15-19)25-29-28-24-17(2)27-22-8-5-18(14-23(22)31(24)25)16-30-9-12-32-13-10-30/h5-8,14-15H,3-4,9-13,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.80	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
					More data for this Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50026826 (CHEMBL3331517 | US9669035, B-2) Show SMILES CCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12 Show InChI InChI=1S/C25H28ClN5O2/c1-3-4-11-33-19-6-7-21(26)20(15-19)25-29-28-24-17(2)27-22-8-5-18(14-23(22)31(24)25)16-30-9-12-32-13-10-30/h5-8,14-15H,3-4,9-13,16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	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
					More data for this Ligand-Target Pair