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SMILES: [#6]-n1cc(\[#6]=[#6](/[#6](-[#8])=O)\[#6](\[#6](-[#8])=O)=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)c2ccccc12

InChI Key: InChIKey=VFWPAHUMBGIQIX-WJDWOHSUSA-N

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 3 hits for monomerid = 66119   
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)
BDBM66119
PNG
((3Z)-2-cyclohexylidene-3-[(1-methyl-3-indolyl)meth...)
Show SMILES [#6]-n1cc(\[#6]=[#6](/[#6](-[#8])=O)\[#6](\[#6](-[#8])=O)=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)c2ccccc12
Show InChI InChI=1S/C20H21NO4/c1-21-12-14(15-9-5-6-10-17(15)21)11-16(19(22)23)18(20(24)25)13-7-3-2-4-8-13/h5-6,9-12H,2-4,7-8H2,1H3,(H,22,23)(H,24,25)/b16-11-
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.41E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2S75DSB
More data for this
Ligand-Target Pair
Beta-lactamase


(Pseudomonas aeruginosa)
BDBM66119
PNG
((3Z)-2-cyclohexylidene-3-[(1-methyl-3-indolyl)meth...)
Show SMILES [#6]-n1cc(\[#6]=[#6](/[#6](-[#8])=O)\[#6](\[#6](-[#8])=O)=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)c2ccccc12
Show InChI InChI=1S/C20H21NO4/c1-21-12-14(15-9-5-6-10-17(15)21)11-16(19(22)23)18(20(24)25)13-7-3-2-4-8-13/h5-6,9-12H,2-4,7-8H2,1H3,(H,22,23)(H,24,25)/b16-11-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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 (2010)


BindingDB Entry DOI: 10.7270/Q2HT2MRM
More data for this
Ligand-Target Pair
Beta-lactamase


(Salmonella enterica subsp. enterica serovar Choler...)
BDBM66119
PNG
((3Z)-2-cyclohexylidene-3-[(1-methyl-3-indolyl)meth...)
Show SMILES [#6]-n1cc(\[#6]=[#6](/[#6](-[#8])=O)\[#6](\[#6](-[#8])=O)=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)c2ccccc12
Show InChI InChI=1S/C20H21NO4/c1-21-12-14(15-9-5-6-10-17(15)21)11-16(19(22)23)18(20(24)25)13-7-3-2-4-8-13/h5-6,9-12H,2-4,7-8H2,1H3,(H,22,23)(H,24,25)/b16-11-
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
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 (2010)


BindingDB Entry DOI: 10.7270/Q2NG4P3G
More data for this
Ligand-Target Pair