BDBM45679 3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-thiophenecarboxamide::3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide::MLS000771714::SMR000376430::cid_2097045

SMILES: Cc1ccsc1C(=O)Nc1nnc([nH]1)C(F)(F)F

InChI Key: InChIKey=NXTQGQURDPDRAY-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 = 45679   

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
Kallikrein 5 (Homo sapiens (Human))	BDBM45679 (3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3...) Show SMILES Cc1ccsc1C(=O)Nc1nnc([nH]1)C(F)(F)F Show InChI InChI=1S/C9H7F3N4OS/c1-4-2-3-18-5(4)6(17)13-8-14-7(15-16-8)9(10,11)12/h2-3H,1H3,(H2,13,14,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	229	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/Q2GH9GC8
					More data for this Ligand-Target Pair
Factor XIIa (Homo sapiens (Human))	BDBM45679 (3-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3...) Show SMILES Cc1ccsc1C(=O)Nc1nnc([nH]1)C(F)(F)F Show InChI InChI=1S/C9H7F3N4OS/c1-4-2-3-18-5(4)6(17)13-8-14-7(15-16-8)9(10,11)12/h2-3H,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	1.21E+3	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