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BDBM46182 MLS-0202046.0001::N-[2,3-bis(2-furanyl)-6-quinoxalinyl]-3-phenyl-1-pyrrolidinecarboxamide::N-[2,3-bis(2-furyl)quinoxalin-6-yl]-3-phenyl-pyrrolidine-1-carboxamide::N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-phenyl-pyrrolidine-1-carboxamide::N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-phenylpyrrolidine-1-carboxamide::cid_2925154

SMILES: O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCC(C1)c1ccccc1

InChI Key: InChIKey=NXSHBISDQOIOHU-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 46182   
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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46182
PNG
(MLS-0202046.0001 | N-[2,3-bis(2-furanyl)-6-quinoxa...)
Show SMILES O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C27H22N4O3/c32-27(31-13-12-19(17-31)18-6-2-1-3-7-18)28-20-10-11-21-22(16-20)30-26(24-9-5-15-34-24)25(29-21)23-8-4-14-33-23/h1-11,14-16,19H,12-13,17H2,(H,28,32)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 923n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2474894
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM46182
PNG
(MLS-0202046.0001 | N-[2,3-bis(2-furanyl)-6-quinoxa...)
Show SMILES O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C27H22N4O3/c32-27(31-13-12-19(17-31)18-6-2-1-3-7-18)28-20-10-11-21-22(16-20)30-26(24-9-5-15-34-24)25(29-21)23-8-4-14-33-23/h1-11,14-16,19H,12-13,17H2,(H,28,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 550n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21N7ZJW
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM46182
PNG
(MLS-0202046.0001 | N-[2,3-bis(2-furanyl)-6-quinoxa...)
Show SMILES O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCC(C1)c1ccccc1
Show InChI InChI=1S/C27H22N4O3/c32-27(31-13-12-19(17-31)18-6-2-1-3-7-18)28-20-10-11-21-22(16-20)30-26(24-9-5-15-34-24)25(29-21)23-8-4-14-33-23/h1-11,14-16,19H,12-13,17H2,(H,28,32)
PDB
MMDB

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n/an/a 1.47E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2DB807Z
More data for this
Ligand-Target Pair