BDBM50397965 CHEMBL2180789

SMILES: FC(F)(F)Oc1cccc(c1)-n1ccc(=O)c(n1)-c1ccnn1-c1ccccc1

InChI Key: InChIKey=NAIXHNHQENAMNS-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50397965   

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))	BDBM50397965 (CHEMBL2180789) Show SMILES FC(F)(F)Oc1cccc(c1)-n1ccc(=O)c(n1)-c1ccnn1-c1ccccc1 Show InChI InChI=1S/C20H13F3N4O2/c21-20(22,23)29-16-8-4-7-15(13-16)26-12-10-18(28)19(25-26)17-9-11-24-27(17)14-5-2-1-3-6-14/h1-13H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDEDA2 using [3H]cGMP as substrate after 30 mins by scintillation proximity assay				J Med Chem 55: 7299-331 (2012) Article DOI: 10.1021/jm3004976 BindingDB Entry DOI: 10.7270/Q2C24XJK
					More data for this Ligand-Target Pair				3D Structure (crystal)