BDBM33930 3-[(2-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::3-[[(2-bromophenyl)-oxomethyl]amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester::MLS001032861::SMR000363482::cid_2314187::methyl 3-[(2-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carboxylate::methyl 3-[(2-bromophenyl)carbonylamino]-1H-1,2,4-triazole-5-carboxylate

SMILES: COC(=O)c1nnc(NC(=O)c2ccccc2Br)[nH]1

InChI Key: InChIKey=LFZPKEYIGZKMGC-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 = 33930   

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))	BDBM33930 (3-[(2-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carb...) Show SMILES COC(=O)c1nnc(NC(=O)c2ccccc2Br)[nH]1 Show InChI InChI=1S/C11H9BrN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-4-2-3-5-7(6)12/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	72.0	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))	BDBM33930 (3-[(2-bromobenzoyl)amino]-1H-1,2,4-triazole-5-carb...) Show SMILES COC(=O)c1nnc(NC(=O)c2ccccc2Br)[nH]1 Show InChI InChI=1S/C11H9BrN4O3/c1-19-10(18)8-13-11(16-15-8)14-9(17)6-4-2-3-5-7(6)12/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	82.0	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