BDBM51963 MLS000557398::N-[5-(2-Fluoro-benzylsulfanylmethyl)-[1,3,4]thiadiazol-2-yl]-2,2-dimethyl-propionamide::N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethyl-propanamide::N-[5-[(2-fluorophenyl)methylsulfanylmethyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide::N-[5-[[(2-fluorobenzyl)thio]methyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethyl-propionamide::N-[5-[[(2-fluorophenyl)methylthio]methyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide::SMR000148315::cid_945654

SMILES: CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1

InChI Key: InChIKey=JRQAPZZAWWKLHC-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 51963   

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)	BDBM51963 (MLS000557398 | N-[5-(2-Fluoro-benzylsulfanylmethyl...) Show SMILES CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1 Show InChI InChI=1S/C15H18FN3OS2/c1-15(2,3)13(20)17-14-19-18-12(22-14)9-21-8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.99E+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/Q2X63KBQ
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM51963 (MLS000557398 | N-[5-(2-Fluoro-benzylsulfanylmethyl...) Show SMILES CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1 Show InChI InChI=1S/C15H18FN3OS2/c1-15(2,3)13(20)17-14-19-18-12(22-14)9-21-8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
Phospholipase A2 (Homo sapiens (Human))	BDBM51963 (MLS000557398 | N-[5-(2-Fluoro-benzylsulfanylmethyl...) Show SMILES CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1 Show InChI InChI=1S/C15H18FN3OS2/c1-15(2,3)13(20)17-14-19-18-12(22-14)9-21-8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q26M35BC
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM51963 (MLS000557398 | N-[5-(2-Fluoro-benzylsulfanylmethyl...) Show SMILES CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1 Show InChI InChI=1S/C15H18FN3OS2/c1-15(2,3)13(20)17-14-19-18-12(22-14)9-21-8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,19,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
cysteine protease ATG4B isoform a (Homo sapiens (Human))	BDBM51963 (MLS000557398 | N-[5-(2-Fluoro-benzylsulfanylmethyl...) Show SMILES CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1 Show InChI InChI=1S/C15H18FN3OS2/c1-15(2,3)13(20)17-14-19-18-12(22-14)9-21-8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2BZ64H1
					More data for this Ligand-Target Pair
Beta lactamase (Pseudomonas aeruginosa)	BDBM51963 (MLS000557398 | N-[5-(2-Fluoro-benzylsulfanylmethyl...) Show SMILES CC(C)(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1 Show InChI InChI=1S/C15H18FN3OS2/c1-15(2,3)13(20)17-14-19-18-12(22-14)9-21-8-10-6-4-5-7-11(10)16/h4-7H,8-9H2,1-3H3,(H,17,19,20)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.96E+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