BDBM50026820 CHEMBL3331513::US9669035, B-10

SMILES: COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12

InChI Key: InChIKey=VDIAEIJDVYOMLE-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 = 50026820   

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
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50026820 (CHEMBL3331513 | US9669035, B-10) Show SMILES COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12 Show InChI InChI=1S/C22H22ClN5O2/c1-14-21-25-26-22(17-12-16(29-2)4-5-18(17)23)28(21)20-11-15(3-6-19(20)24-14)13-27-7-9-30-10-8-27/h3-6,11-12H,7-10,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid 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
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50026820 (CHEMBL3331513 | US9669035, B-10) Show SMILES COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12 Show InChI InChI=1S/C22H22ClN5O2/c1-14-21-25-26-22(17-12-16(29-2)4-5-18(17)23)28(21)20-11-15(3-6-19(20)24-14)13-27-7-9-30-10-8-27/h3-6,11-12H,7-10,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	100	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
cGMP-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50026820 (CHEMBL3331513 | US9669035, B-10) Show SMILES COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12 Show InChI InChI=1S/C22H22ClN5O2/c1-14-21-25-26-22(17-12-16(29-2)4-5-18(17)23)28(21)20-11-15(3-6-19(20)24-14)13-27-7-9-30-10-8-27/h3-6,11-12H,7-10,13H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Rattus norvegicus (rat))	BDBM50026820 (CHEMBL3331513 | US9669035, B-10) Show SMILES COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(CN4CCOCC4)cc3n12 Show InChI InChI=1S/C22H22ClN5O2/c1-14-21-25-26-22(17-12-16(29-2)4-5-18(17)23)28(21)20-11-15(3-6-19(20)24-14)13-27-7-9-30-10-8-27/h3-6,11-12H,7-10,13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	106	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