BDBM45636 MLS000708241::SMR000287708::[5-amino-3-(2-furanyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::[5-amino-3-(2-furyl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::[5-azanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone::cid_828589

SMILES: Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1ccco1

InChI Key: InChIKey=QOEJNDOIEPTHBU-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 = 45636   

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
Factor XIIa (Homo sapiens (Human))	BDBM45636 (MLS000708241 | SMR000287708 | [5-amino-3-(2-furany...) Show SMILES Nc1nc(nn1C(=O)c1ccc(F)cc1)-c1ccco1 Show InChI InChI=1S/C13H9FN4O2/c14-9-5-3-8(4-6-9)12(19)18-13(15)16-11(17-18)10-2-1-7-20-10/h1-7H,(H2,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	237	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS
					More data for this Ligand-Target Pair