BDBM44197 2-[3-(4-fluorobenzyl)-7-keto-triazolo[4,5-d]pyrimidin-6-yl]-N-(2-furfuryl)acetamide::2-[3-[(4-fluorophenyl)methyl]-7-oxidanylidene-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)ethanamide::2-[3-[(4-fluorophenyl)methyl]-7-oxo-6-triazolo[4,5-d]pyrimidinyl]-N-(2-furanylmethyl)acetamide::2-[3-[(4-fluorophenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]-N-(furan-2-ylmethyl)acetamide::MLS000092755::SMR000016682::cid_3244909

SMILES: Fc1ccc(Cn2nnc3c2ncn(CC(=O)NCc2ccco2)c3=O)cc1

InChI Key: InChIKey=VCGICOXFXWOWGC-UHFFFAOYSA-N

Data: 1 EC50

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 = 44197   

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
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM44197 (2-[3-(4-fluorobenzyl)-7-keto-triazolo[4,5-d]pyrimi...) Show SMILES Fc1ccc(Cn2nnc3c2ncn(CC(=O)NCc2ccco2)c3=O)cc1 Show InChI InChI=1S/C18H15FN6O3/c19-13-5-3-12(4-6-13)9-25-17-16(22-23-25)18(27)24(11-21-17)10-15(26)20-8-14-2-1-7-28-14/h1-7,11H,8-10H2,(H,20,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.90E+4	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q52N1X
					More data for this Ligand-Target Pair