BDBM50028899 CHEMBL3359098

SMILES: Nc1ccc(Sc2ccc(cc2C(F)(F)F)[N+]([O-])=O)cc1

InChI Key: InChIKey=UWAMIZFSOCHSQL-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 = 50028899   

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
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM50028899 (CHEMBL3359098) Show SMILES Nc1ccc(Sc2ccc(cc2C(F)(F)F)[N+]([O-])=O)cc1 Show InChI InChI=1S/C13H9F3N2O2S/c14-13(15,16)11-7-9(18(19)20)3-6-12(11)21-10-4-1-8(17)2-5-10/h1-7H,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Centro de Investigaciones Biol�gicas (CSIC) Curated by ChEMBL					Assay Description Inhibition of human recombinant PDE7A1 assessed as inhibition of hydrolysis of [3H]cAMP after 20 mins by scintillation proximity assay				J Med Chem 57: 8590-607 (2014) Article DOI: 10.1021/jm501090m BindingDB Entry DOI: 10.7270/Q2S75HXC
					More data for this Ligand-Target Pair