BDBM239754 US9394311, 37

SMILES: Cc1ccc(C)n2nc(CCc3nc(nn3C)N3CCCC3)nc12

InChI Key: InChIKey=VALAUVHMCIZSTQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 239754   

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))	BDBM239754 (US9394311, 37) Show SMILES Cc1ccc(C)n2nc(CCc3nc(nn3C)N3CCCC3)nc12 Show InChI InChI=1S/C17H23N7/c1-12-6-7-13(2)24-16(12)18-14(20-24)8-9-15-19-17(21-22(15)3)23-10-4-5-11-23/h6-7H,4-5,8-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.21	n/a	n/a	n/a	n/a	n/a	25
Hoffmann-La Roche Inc. US Patent					Assay Description The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM M...				US Patent US9394311 (2016) BindingDB Entry DOI: 10.7270/Q27D2T2H
					More data for this Ligand-Target Pair