BDBM50401312 CHEMBL2205213

SMILES: CN(CCc1ccccn1)c1nc(nc2CCN(Cc12)C(=O)OC(C)(C)C)-c1ccncc1

InChI Key: InChIKey=GKHWGEVOTVKWSL-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 = 50401312   

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))	BDBM50401312 (CHEMBL2205213) Show SMILES CN(CCc1ccccn1)c1nc(nc2CCN(Cc12)C(=O)OC(C)(C)C)-c1ccncc1 Show InChI InChI=1S/C25H30N6O2/c1-25(2,3)33-24(32)31-16-11-21-20(17-31)23(29-22(28-21)18-8-13-26-14-9-18)30(4)15-10-19-7-5-6-12-27-19/h5-9,12-14H,10-11,15-17H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	186	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 PDE10A				Bioorg Med Chem Lett 22: 5903-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.072 BindingDB Entry DOI: 10.7270/Q23J3F3X
					More data for this Ligand-Target Pair