BDBM50014905 CHEMBL3262043

SMILES: CO[C@@H](C)Cn1cc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1

InChI Key: InChIKey=DPAWKOUFAHFNNS-ZDUSSCGKSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50014905   

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))	BDBM50014905 (CHEMBL3262043) Show SMILES CO[C@@H](C)Cn1cc(cn1)-c1c(C)nc2c(nccn12)N1CCOCC1 |r| Show InChI InChI=1S/C18H24N6O2/c1-13(25-3)11-23-12-15(10-20-23)16-14(2)21-18-17(19-4-5-24(16)18)22-6-8-26-9-7-22/h4-5,10,12-13H,6-9,11H2,1-3H3/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development Curated by ChEMBL					Assay Description Inhibition of rat recombinant PDE10A expressed in baculovirus infected Sf9 cells using [3H]cAMP as substrate after 60 mins by TopCount scintillation ...				J Med Chem 57: 4196-212 (2014) Article DOI: 10.1021/jm500073h BindingDB Entry DOI: 10.7270/Q2X068K6
					More data for this Ligand-Target Pair				3D Structure (crystal)