BDBM47222 3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione::3-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione::3-(4-chloro-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione::3-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione::5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol::MLS000544420::SMR000159948::cid_4302597

SMILES: Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1

InChI Key: InChIKey=MNPQISXNUBUTRX-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 47222   

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)	BDBM47222 (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-flu...) Show SMILES Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1 Show InChI InChI=1S/C13H11ClFN5S/c1-7-10(14)11(18-19(7)2)12-16-17-13(21)20(12)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H,17,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.48E+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)	BDBM47222 (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-flu...) Show SMILES Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1 Show InChI InChI=1S/C13H11ClFN5S/c1-7-10(14)11(18-19(7)2)12-16-17-13(21)20(12)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H,17,21)	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
Beta lactamase (Pseudomonas aeruginosa)	BDBM47222 (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-flu...) Show SMILES Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1 Show InChI InChI=1S/C13H11ClFN5S/c1-7-10(14)11(18-19(7)2)12-16-17-13(21)20(12)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H,17,21)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.25E+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
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...)	BDBM47222 (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-flu...) Show SMILES Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1 Show InChI InChI=1S/C13H11ClFN5S/c1-7-10(14)11(18-19(7)2)12-16-17-13(21)20(12)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q29W0D3P
					More data for this Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...)	BDBM47222 (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-flu...) Show SMILES Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1 Show InChI InChI=1S/C13H11ClFN5S/c1-7-10(14)11(18-19(7)2)12-16-17-13(21)20(12)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>6.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KD1WJB
					More data for this Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...)	BDBM47222 (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-flu...) Show SMILES Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1 Show InChI InChI=1S/C13H11ClFN5S/c1-7-10(14)11(18-19(7)2)12-16-17-13(21)20(12)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2FN14T0
					More data for this Ligand-Target Pair
metallo-beta-lactamase IMP-1 (Pseudomonas aeruginosa)	BDBM47222 (3-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-flu...) Show SMILES Cc1c(Cl)c(nn1C)-c1n[nH]c(=S)n1-c1ccc(F)cc1 Show InChI InChI=1S/C13H11ClFN5S/c1-7-10(14)11(18-19(7)2)12-16-17-13(21)20(12)9-5-3-8(15)4-6-9/h3-6H,1-2H3,(H,17,21)	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