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BDBM52029 (E)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-propenoic acid::(E)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)acrylic acid::(E)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)prop-2-enoic acid::MLS001175936::SMR000592707::cid_2561818

SMILES: OC(=O)\C=C\c1nnc2c3ccccc3cnn12

InChI Key: InChIKey=NRSAJIMYAZUABV-AATRIKPKSA-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 = 52029   
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)
BDBM52029
PNG
((E)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-pr...)
Show SMILES OC(=O)\C=C\c1nnc2c3ccccc3cnn12
Show InChI InChI=1S/C12H8N4O2/c17-11(18)6-5-10-14-15-12-9-4-2-1-3-8(9)7-13-16(10)12/h1-7H,(H,17,18)/b6-5+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.38E+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)
BDBM52029
PNG
((E)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-pr...)
Show SMILES OC(=O)\C=C\c1nnc2c3ccccc3cnn12
Show InChI InChI=1S/C12H8N4O2/c17-11(18)6-5-10-14-15-12-9-4-2-1-3-8(9)7-13-16(10)12/h1-7H,(H,17,18)/b6-5+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

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)
BDBM52029
PNG
((E)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-pr...)
Show SMILES OC(=O)\C=C\c1nnc2c3ccccc3cnn12
Show InChI InChI=1S/C12H8N4O2/c17-11(18)6-5-10-14-15-12-9-4-2-1-3-8(9)7-13-16(10)12/h1-7H,(H,17,18)/b6-5+
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.44E+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)
BDBM52029
PNG
((E)-3-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)-2-pr...)
Show SMILES OC(=O)\C=C\c1nnc2c3ccccc3cnn12
Show InChI InChI=1S/C12H8N4O2/c17-11(18)6-5-10-14-15-12-9-4-2-1-3-8(9)7-13-16(10)12/h1-7H,(H,17,18)/b6-5+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

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