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BDBM52035 (2R)-1-[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyran-7-yl)oxy]ethyl]-2-pyrrolidinecarboxylic acid::(2R)-1-[2-(2-keto-3,4,8-trimethyl-chromen-7-yl)oxyacetyl]proline::(2R)-1-[2-(3,4,8-trimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]pyrrolidine-2-carboxylic acid::(2R)-1-[2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetyl]pyrrolidine-2-carboxylic acid::MLS001139433::SMR000647075::cid_6569026

SMILES: Cc1c(OCC(=O)N2CCC[C@@H]2C(O)=O)ccc2c(C)c(C)c(=O)oc12

InChI Key: InChIKey=CILMVYLOUANTLX-CQSZACIVSA-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 = 52035   
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)
BDBM52035
PNG
((2R)-1-[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyr...)
Show SMILES Cc1c(OCC(=O)N2CCC[C@@H]2C(O)=O)ccc2c(C)c(C)c(=O)oc12
Show InChI InChI=1S/C19H21NO6/c1-10-11(2)19(24)26-17-12(3)15(7-6-13(10)17)25-9-16(21)20-8-4-5-14(20)18(22)23/h6-7,14H,4-5,8-9H2,1-3H3,(H,22,23)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.07E+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/Q2X63KBQ
More data for this
Ligand-Target Pair
metallo-beta-lactamase IMP-1


(Pseudomonas aeruginosa)
BDBM52035
PNG
((2R)-1-[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyr...)
Show SMILES Cc1c(OCC(=O)N2CCC[C@@H]2C(O)=O)ccc2c(C)c(C)c(=O)oc12
Show InChI InChI=1S/C19H21NO6/c1-10-11(2)19(24)26-17-12(3)15(7-6-13(10)17)25-9-16(21)20-8-4-5-14(20)18(22)23/h6-7,14H,4-5,8-9H2,1-3H3,(H,22,23)/t14-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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)
BDBM52035
PNG
((2R)-1-[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyr...)
Show SMILES Cc1c(OCC(=O)N2CCC[C@@H]2C(O)=O)ccc2c(C)c(C)c(=O)oc12
Show InChI InChI=1S/C19H21NO6/c1-10-11(2)19(24)26-17-12(3)15(7-6-13(10)17)25-9-16(21)20-8-4-5-14(20)18(22)23/h6-7,14H,4-5,8-9H2,1-3H3,(H,22,23)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.09E+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)
BDBM52035
PNG
((2R)-1-[1-oxo-2-[(3,4,8-trimethyl-2-oxo-1-benzopyr...)
Show SMILES Cc1c(OCC(=O)N2CCC[C@@H]2C(O)=O)ccc2c(C)c(C)c(=O)oc12
Show InChI InChI=1S/C19H21NO6/c1-10-11(2)19(24)26-17-12(3)15(7-6-13(10)17)25-9-16(21)20-8-4-5-14(20)18(22)23/h6-7,14H,4-5,8-9H2,1-3H3,(H,22,23)/t14-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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