BDBM50129262 CHEMBL3627741

SMILES: COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C(C)C)C(=O)C(C)(C)c2c1F

InChI Key: InChIKey=OHKVHEWRJNEIFI-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 = 50129262   

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))	BDBM50129262 (CHEMBL3627741) Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C(C)C)C(=O)C(C)(C)c2c1F Show InChI InChI=1S/C27H26FN5O3/c1-16(2)32-18-11-12-19(23(28)22(18)27(3,4)26(32)35)31-15-21(36-5)25(34)24(30-31)20-13-14-29-33(20)17-9-7-6-8-10-17/h6-16H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...				Bioorg Med Chem 23: 7138-49 (2015) BindingDB Entry DOI: 10.7270/Q2NG4SGN
					More data for this Ligand-Target Pair