BDBM61399 MLS000071807::SMR000003886::[4-(2-Cyclopropyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-piperazin-1-yl]-furan-2-yl-methanone::[4-(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-(2-furanyl)methanone::[4-(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone::[4-(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)piperazino]-(2-furyl)methanone::cid_655864

SMILES O=C(N1CCN(CC1)c1nc(nc2sc3CCCCc3c12)C1CC1)c1ccco1

InChI Key InChIKey=DHEVDMHYABXIBV-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 61399   

TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61399(SMR000003886 | [4-(2-cyclopropyl-5,6,7,8-tetrahydr...)
Affinity DataIC50: 1.74E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM61399(SMR000003886 | [4-(2-cyclopropyl-5,6,7,8-tetrahydr...)
Affinity DataEC50:  1.37E+5nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM61399(SMR000003886 | [4-(2-cyclopropyl-5,6,7,8-tetrahydr...)
Affinity DataEC50:  2.96E+4nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetG-protein coupled receptor 55(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM61399(SMR000003886 | [4-(2-cyclopropyl-5,6,7,8-tetrahydr...)
Affinity DataIC50: 860nMAssay Description:Antagonist activity at human GPR55 expressed in human U2OS cells assessed as inhibition of LPI-induced receptor activation by measuring beta-arrestin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed