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BDBM47740 1-ethyl-4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-phenyl)piperazine::1-ethyl-4-(4-fluoro-2-nitro-5-pyrrolidin-1-ylphenyl)piperazine::1-ethyl-4-(4-fluoro-2-nitro-5-pyrrolidino-phenyl)piperazine::1-ethyl-4-[4-fluoro-2-nitro-5-(1-pyrrolidinyl)phenyl]piperazine::MLS000585707::SMR000204270::cid_12005086

SMILES: CCN1CCN(CC1)c1cc(N2CCCC2)c(F)cc1[N+]([O-])=O

InChI Key: InChIKey=MGULRDBJAAAYHC-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 47740   
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
RGS7


(Homo sapiens (Human))
BDBM47740
PNG
(1-ethyl-4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-p...)
Show SMILES CCN1CCN(CC1)c1cc(N2CCCC2)c(F)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H23FN4O2/c1-2-18-7-9-20(10-8-18)15-12-14(19-5-3-4-6-19)13(17)11-16(15)21(22)23/h11-12H,2-10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2PV6HS7
More data for this
Ligand-Target Pair
G protein signalling regulator 19


(Homo sapiens (Human))
BDBM47740
PNG
(1-ethyl-4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-p...)
Show SMILES CCN1CCN(CC1)c1cc(N2CCCC2)c(F)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H23FN4O2/c1-2-18-7-9-20(10-8-18)15-12-14(19-5-3-4-6-19)13(17)11-16(15)21(22)23/h11-12H,2-10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2K35S27
More data for this
Ligand-Target Pair
regulator of G-protein signaling 4


(Homo sapiens (Human))
BDBM47740
PNG
(1-ethyl-4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-p...)
Show SMILES CCN1CCN(CC1)c1cc(N2CCCC2)c(F)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H23FN4O2/c1-2-18-7-9-20(10-8-18)15-12-14(19-5-3-4-6-19)13(17)11-16(15)21(22)23/h11-12H,2-10H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 20n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2F76B0G
More data for this
Ligand-Target Pair
Regulator of G-protein signaling 8


(Homo sapiens (Human))
BDBM47740
PNG
(1-ethyl-4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-p...)
Show SMILES CCN1CCN(CC1)c1cc(N2CCCC2)c(F)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H23FN4O2/c1-2-18-7-9-20(10-8-18)15-12-14(19-5-3-4-6-19)13(17)11-16(15)21(22)23/h11-12H,2-10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2TM78JD
More data for this
Ligand-Target Pair
regulator of G-protein signalling 16


(Homo sapiens (Human))
BDBM47740
PNG
(1-ethyl-4-(4-fluoranyl-2-nitro-5-pyrrolidin-1-yl-p...)
Show SMILES CCN1CCN(CC1)c1cc(N2CCCC2)c(F)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H23FN4O2/c1-2-18-7-9-20(10-8-18)15-12-14(19-5-3-4-6-19)13(17)11-16(15)21(22)23/h11-12H,2-10H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: NIH R21NS057014 HTS to identify small molecule regulators of RGS family protein interaction...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2FB51BW
More data for this
Ligand-Target Pair