BDBM50362733 CHEMBL1939789

SMILES: COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCCOCC3)c2c1

InChI Key: InChIKey=RAAOQLGZBGVHTC-UHFFFAOYSA-N

Data: 1 KI

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 = 50362733   

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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50362733 (CHEMBL1939789) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(N3CCCOCC3)c2c1 Show InChI InChI=1S/C18H22N4O2/c1-11-9-13(23-3)10-14-16(11)19-18-15(12(2)20-21-18)17(14)22-5-4-7-24-8-6-22/h9-10H,4-8H2,1-3H3,(H,19,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay				Bioorg Med Chem Lett 22: 1019-22 (2012) Article DOI: 10.1016/j.bmcl.2011.11.127 BindingDB Entry DOI: 10.7270/Q2BV7H3J
					More data for this Ligand-Target Pair