BDBM181676 US9669035, B-22a

SMILES: CCNCc1ccc2nc(C)c3nnc(-c4cc(OCC)ccc4Cl)n3c2c1

InChI Key: InChIKey=BNCPRKFNMWSBJU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 181676   

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))	BDBM181676 (US9669035, B-22a) Show SMILES CCNCc1ccc2nc(C)c3nnc(-c4cc(OCC)ccc4Cl)n3c2c1 Show InChI InChI=1S/C21H22ClN5O/c1-4-23-12-14-6-9-18-19(10-14)27-20(13(3)24-18)25-26-21(27)16-11-15(28-5-2)7-8-17(16)22/h6-11,23H,4-5,12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	910	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))	BDBM181676 (US9669035, B-22a) Show SMILES CCNCc1ccc2nc(C)c3nnc(-c4cc(OCC)ccc4Cl)n3c2c1 Show InChI InChI=1S/C21H22ClN5O/c1-4-23-12-14-6-9-18-19(10-14)27-20(13(3)24-18)25-26-21(27)16-11-15(28-5-2)7-8-17(16)22/h6-11,23H,4-5,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	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