BDBM33896 3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::3-[[(4-fluorophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS001007132::SMR000352399::cid_2317506::methyl 3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate::methyl 3-[(4-fluorophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate

SMILES: COC(=O)c1nnc(NC(=O)c2ccc(F)cc2)[nH]1

InChI Key: InChIKey=CYAQTWKBNHAHHY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 33896   

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))	BDBM33896 (3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazole-5-car...) Show SMILES COC(=O)c1nnc(NC(=O)c2ccc(F)cc2)[nH]1 Show InChI InChI=1S/C11H9FN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	29.6	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
Prothrombin (Homo sapiens (Human))	BDBM33896 (3-[(4-fluorobenzoyl)amino]-1H-1,2,4-triazole-5-car...) Show SMILES COC(=O)c1nnc(NC(=O)c2ccc(F)cc2)[nH]1 Show InChI InChI=1S/C11H9FN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H2,13,14,15,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	297	n/a	n/a	n/a	n/a	7.5	23
PCMD Curated by PubChem BioAssay					Assay Description HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2K64GDN
					More data for this Ligand-Target Pair