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SMILES: O=C(OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)C1CN(Cc2ccco2)C(=O)C1

InChI Key: InChIKey=DOOUQJWJCXODNY-UHFFFAOYSA-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 = 45298   
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
Coagulation factor XII


(Homo sapiens (Human))
BDBM45298
PNG
(1-(2-furanylmethyl)-5-oxo-3-pyrrolidinecarboxylic ...)
Show SMILES O=C(OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)C1CN(Cc2ccco2)C(=O)C1
Show InChI InChI=1S/C23H19NO8/c25-19(15-5-7-17(8-6-15)32-23(28)20-4-2-10-30-20)14-31-22(27)16-11-21(26)24(12-16)13-18-3-1-9-29-18/h1-10,16H,11-14H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.33E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q21G0JQS
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM45298
PNG
(1-(2-furanylmethyl)-5-oxo-3-pyrrolidinecarboxylic ...)
Show SMILES O=C(OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)C1CN(Cc2ccco2)C(=O)C1
Show InChI InChI=1S/C23H19NO8/c25-19(15-5-7-17(8-6-15)32-23(28)20-4-2-10-30-20)14-31-22(27)16-11-21(26)24(12-16)13-18-3-1-9-29-18/h1-10,16H,11-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.80E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2DR2SX9
More data for this
Ligand-Target Pair
Protein RecA


(Mycobacterium tuberculosis H37Rv)
BDBM45298
PNG
(1-(2-furanylmethyl)-5-oxo-3-pyrrolidinecarboxylic ...)
Show SMILES O=C(OCC(=O)c1ccc(OC(=O)c2ccco2)cc1)C1CN(Cc2ccco2)C(=O)C1
Show InChI InChI=1S/C23H19NO8/c25-19(15-5-7-17(8-6-15)32-23(28)20-4-2-10-30-20)14-31-22(27)16-11-21(26)24(12-16)13-18-3-1-9-29-18/h1-10,16H,11-14H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>3.80E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2FN14NR
More data for this
Ligand-Target Pair