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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)
LigandTarget/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
pHTemp
°C
Beta lactamase


(Pseudomonas aeruginosa)
BDBM47222
PNG
(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/an/a 1.48E+4n/an/an/an/an/an/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
PNG
(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/an/a 5.96E+4n/an/an/an/an/an/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
PNG
(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/an/a 6.25E+3n/an/an/an/an/an/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
PNG
(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/an/a 4.23E+4n/an/an/an/an/an/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
PNG
(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/an/a>6.70E+4n/an/an/an/an/an/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
PNG
(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/an/a 4.48E+4n/an/an/an/an/an/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
PNG
(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/an/a 5.96E+4n/an/an/an/an/an/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