BDBM50425125 CHEMBL2313232::US9669035, B-4

SMILES: CCNCc1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1

InChI Key: InChIKey=PMOYHZUHMRBKJN-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 = 50425125   

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
Homo sapiens phosphodiesterase 2A (PDE2A) (Homo sapiens (Human))	BDBM50425125 (CHEMBL2313232 | US9669035, B-4) Show SMILES CCNCc1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1 Show InChI InChI=1S/C19H18ClN5/c1-3-21-11-13-8-9-16-17(10-13)25-18(12(2)22-16)23-24-19(25)14-6-4-5-7-15(14)20/h4-10,21H,3,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	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))	BDBM50425125 (CHEMBL2313232 | US9669035, B-4) Show SMILES CCNCc1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1 Show InChI InChI=1S/C19H18ClN5/c1-3-21-11-13-8-9-16-17(10-13)25-18(12(2)22-16)23-24-19(25)14-6-4-5-7-15(14)20/h4-10,21H,3,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay				Bioorg Med Chem Lett 23: 785-90 (2013) Article DOI: 10.1016/j.bmcl.2012.11.077 BindingDB Entry DOI: 10.7270/Q2C82BMR
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM50425125 (CHEMBL2313232 | US9669035, B-4) Show SMILES CCNCc1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1 Show InChI InChI=1S/C19H18ClN5/c1-3-21-11-13-8-9-16-17(10-13)25-18(12(2)22-16)23-24-19(25)14-6-4-5-7-15(14)20/h4-10,21H,3,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag S.A. Curated by ChEMBL					Assay Description Inhibition of rat PDE10A expressed in Sf9 cells by scintillation proximity assay				Bioorg Med Chem Lett 23: 785-90 (2013) Article DOI: 10.1016/j.bmcl.2012.11.077 BindingDB Entry DOI: 10.7270/Q2C82BMR
					More data for this Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A) (Rattus norvegicus (rat))	BDBM50425125 (CHEMBL2313232 | US9669035, B-4) Show SMILES CCNCc1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1 Show InChI InChI=1S/C19H18ClN5/c1-3-21-11-13-8-9-16-17(10-13)25-18(12(2)22-16)23-24-19(25)14-6-4-5-7-15(14)20/h4-10,21H,3,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	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