BDBM50362713 CHEMBL1939810

SMILES: COc1cc(C)c2nc3[nH]nc(C)c3c(NCC3CCNCC3)c2c1

InChI Key: InChIKey=OMCOUOOGAGOGRF-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 = 50362713   

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))	BDBM50362713 (CHEMBL1939810) Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(NCC3CCNCC3)c2c1 Show InChI InChI=1S/C19H25N5O/c1-11-8-14(25-3)9-15-17(11)22-19-16(12(2)23-24-19)18(15)21-10-13-4-6-20-7-5-13/h8-9,13,20H,4-7,10H2,1-3H3,(H2,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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