BDBM51997 4-(2-furanylmethyl)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione::4-(2-furfuryl)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione::4-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione::MLS001006906::SMR000384403::cid_2398093

SMILES: COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1

InChI Key: InChIKey=JIYREQCHGYZWEN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 51997   

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
Beta lactamase (Pseudomonas aeruginosa)	BDBM51997 (4-(2-furanylmethyl)-3-(2-methoxyphenyl)-1H-1,2,4-t...) Show SMILES COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1 Show InChI InChI=1S/C14H13N3O2S/c1-18-12-7-3-2-6-11(12)13-15-16-14(20)17(13)9-10-5-4-8-19-10/h2-8H,9H2,1H3,(H,16,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2X63KBQ
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM51997 (4-(2-furanylmethyl)-3-(2-methoxyphenyl)-1H-1,2,4-t...) Show SMILES COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1 Show InChI InChI=1S/C14H13N3O2S/c1-18-12-7-3-2-6-11(12)13-15-16-14(20)17(13)9-10-5-4-8-19-10/h2-8H,9H2,1H3,(H,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2J101MD
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM51997 (4-(2-furanylmethyl)-3-(2-methoxyphenyl)-1H-1,2,4-t...) Show SMILES COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1 Show InChI InChI=1S/C14H13N3O2S/c1-18-12-7-3-2-6-11(12)13-15-16-14(20)17(13)9-10-5-4-8-19-10/h2-8H,9H2,1H3,(H,16,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NS0S90
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM51997 (4-(2-furanylmethyl)-3-(2-methoxyphenyl)-1H-1,2,4-t...) Show SMILES COc1ccccc1-c1n[nH]c(=S)n1Cc1ccco1 Show InChI InChI=1S/C14H13N3O2S/c1-18-12-7-3-2-6-11(12)13-15-16-14(20)17(13)9-10-5-4-8-19-10/h2-8H,9H2,1H3,(H,16,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2SF2TM0
					More data for this Ligand-Target Pair