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BDBM79646 6-fluoranyl-4-oxidanidyl-7-pyrrolidin-1-yl-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide::6-fluoro-4-oxido-7-(1-pyrrolidinyl)-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide::6-fluoro-4-oxido-7-pyrrolidin-1-yl-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide::6-fluoro-4-oxido-7-pyrrolidino-2,3-dihydro-1H-cyclopenta[b]quinoxalin-9-ium 9-oxide::6-fluoro-7-pyrrolidin-1-yl-2,3-dihydro-1H-cyclopenta[b]quinoxaline 4,9-dioxide::MLS000045751::SMR000027708::cid_3242663

SMILES: [O-]N1C2=C(CCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12

InChI Key: InChIKey=IJUUDWIVXGTXPF-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 = 79646   
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
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79646
PNG
(6-fluoranyl-4-oxidanidyl-7-pyrrolidin-1-yl-2,3-dih...)
Show SMILES [O-]N1C2=C(CCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12 |t:2|
Show InChI InChI=1S/C15H16FN3O2/c16-10-8-14-15(9-13(10)17-6-1-2-7-17)19(21)12-5-3-4-11(12)18(14)20/h8-9H,1-7H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.65E+3n/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM79646
PNG
(6-fluoranyl-4-oxidanidyl-7-pyrrolidin-1-yl-2,3-dih...)
Show SMILES [O-]N1C2=C(CCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12 |t:2|
Show InChI InChI=1S/C15H16FN3O2/c16-10-8-14-15(9-13(10)17-6-1-2-7-17)19(21)12-5-3-4-11(12)18(14)20/h8-9H,1-7H2
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 8.33E+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: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2R49PFB
More data for this
Ligand-Target Pair
Chain E, Fragment Double-D From Human Fibrin


(Homo sapiens (Human))
BDBM79646
PNG
(6-fluoranyl-4-oxidanidyl-7-pyrrolidin-1-yl-2,3-dih...)
Show SMILES [O-]N1C2=C(CCC2)[N+](=O)c2cc(N3CCCC3)c(F)cc12 |t:2|
Show InChI InChI=1S/C15H16FN3O2/c16-10-8-14-15(9-13(10)17-6-1-2-7-17)19(21)12-5-3-4-11(12)18(14)20/h8-9H,1-7H2
PDB
MMDB

Reactome pathway

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.61E+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: Harvard Medical School/Massachuset...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2VX0F59
More data for this
Ligand-Target Pair