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BDBM74444 4-Isopropyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid [(benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]-methyl ester::4-isopropylfuro[3,2-b]pyrrole-5-carboxylic acid [2-keto-2-(piperonylamino)ethyl] ester::4-propan-2-yl-5-furo[3,2-b]pyrrolecarboxylic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester::MLS000035170::SMR000008063::[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate::[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate::cid_648085

SMILES: CC(C)n1c(cc2occc12)C(=O)OCC(=O)NCc1ccc2OCOc2c1

InChI Key: InChIKey=MEOOBTNXLACSHU-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 74444   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74444
PNG
(4-Isopropyl-4H-furo[3,2-b]pyrrole-5-carboxylic aci...)
Show SMILES CC(C)n1c(cc2occc12)C(=O)OCC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C20H20N2O6/c1-12(2)22-14-5-6-25-17(14)8-15(22)20(24)26-10-19(23)21-9-13-3-4-16-18(7-13)28-11-27-16/h3-8,12H,9-11H2,1-2H3,(H,21,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PCBioAssay
n/an/a>7.94E+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, ...


PubChem Bioassay (2010)


Article DOI: 10.1038/nchembio.1629
BindingDB Entry DOI: 10.7270/Q24748BK
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM74444
PNG
(4-Isopropyl-4H-furo[3,2-b]pyrrole-5-carboxylic aci...)
Show SMILES CC(C)n1c(cc2occc12)C(=O)OCC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C20H20N2O6/c1-12(2)22-14-5-6-25-17(14)8-15(22)20(24)26-10-19(23)21-9-13-3-4-16-18(7-13)28-11-27-16/h3-8,12H,9-11H2,1-2H3,(H,21,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.65E+3n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2B856KG
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM74444
PNG
(4-Isopropyl-4H-furo[3,2-b]pyrrole-5-carboxylic aci...)
Show SMILES CC(C)n1c(cc2occc12)C(=O)OCC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C20H20N2O6/c1-12(2)22-14-5-6-25-17(14)8-15(22)20(24)26-10-19(23)21-9-13-3-4-16-18(7-13)28-11-27-16/h3-8,12H,9-11H2,1-2H3,(H,21,23)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+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, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2CR5RTC
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM74444
PNG
(4-Isopropyl-4H-furo[3,2-b]pyrrole-5-carboxylic aci...)
Show SMILES CC(C)n1c(cc2occc12)C(=O)OCC(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C20H20N2O6/c1-12(2)22-14-5-6-25-17(14)8-15(22)20(24)26-10-19(23)21-9-13-3-4-16-18(7-13)28-11-27-16/h3-8,12H,9-11H2,1-2H3,(H,21,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>7.94E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2VQ314Z
More data for this
Ligand-Target Pair