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BDBM51940 MLS000033402::N-[5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide::N-[5-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide::N-[5-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide::N-[5-[[2-(2,6-dimethylpiperidino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide::SMR000006600::Thiophene-2-carboxylic acid {5-[2-(2,6-dimethyl-piperidin-1-yl)-2-oxo-ethylsulfanyl]-[1,3,4]thiadiazol-2-yl}-amide::cid_648765

SMILES: CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1

InChI Key: InChIKey=FTZCRFSVPYTWDD-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 = 51940   
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)
BDBM51940
PNG
(MLS000033402 | N-[5-[2-(2,6-dimethylpiperidin-1-yl...)
Show SMILES CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1
Show InChI InChI=1S/C16H20N4O2S3/c1-10-5-3-6-11(2)20(10)13(21)9-24-16-19-18-15(25-16)17-14(22)12-7-4-8-23-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,18,22)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.18E+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)
BDBM51940
PNG
(MLS000033402 | N-[5-[2-(2,6-dimethylpiperidin-1-yl...)
Show SMILES CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1
Show InChI InChI=1S/C16H20N4O2S3/c1-10-5-3-6-11(2)20(10)13(21)9-24-16-19-18-15(25-16)17-14(22)12-7-4-8-23-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,18,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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
Beta lactamase


(Pseudomonas aeruginosa)
BDBM51940
PNG
(MLS000033402 | N-[5-[2-(2,6-dimethylpiperidin-1-yl...)
Show SMILES CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1
Show InChI InChI=1S/C16H20N4O2S3/c1-10-5-3-6-11(2)20(10)13(21)9-24-16-19-18-15(25-16)17-14(22)12-7-4-8-23-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,18,22)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.92E+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
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM51940
PNG
(MLS000033402 | N-[5-[2-(2,6-dimethylpiperidin-1-yl...)
Show SMILES CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)c2cccs2)s1
Show InChI InChI=1S/C16H20N4O2S3/c1-10-5-3-6-11(2)20(10)13(21)9-24-16-19-18-15(25-16)17-14(22)12-7-4-8-23-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3,(H,17,18,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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