BDBM50244216 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one::CHEMBL456881::cid_68261

SMILES O=c1n2CCCc2nc2ccccc12

InChI Key InChIKey=VARHXCYGZKSOOO-UHFFFAOYSA-N

Data  17 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50244216   

TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  3.29E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCholinesterase(Homo sapiens (Human))
University Of Louisiana At Lafayette

Curated by ChEMBL
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  1.78E+4nMAssay Description:Inhibition of BuChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  1.84E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEukaryotic translation initiation factor 4 gamma 1(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  6.20E+3nMAssay Description:Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetKallikrein-5(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  4.26E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataEC50:  1.19E+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 DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataEC50:  1.16E+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 DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  4.32E+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 DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  8.00E+4nMAssay 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 DepthDetails PCBioAssay
TargetCholinesterase(Homo sapiens (Human))
University Of Louisiana At Lafayette

Curated by ChEMBL
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  2.51E+4nMAssay Description:Inhibition of BuchE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  8.25E+4nMAssay Description:Inhibition of AchE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  6.25E+4nMAssay Description:Inhibition of human AChE pre-incubated for 6 mins before ATCI substrate addition and measured after 12 mins by DTNB reagent dependent UV-Vis spectrop...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
University Of Louisiana At Lafayette

Curated by ChEMBL
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  4.51E+4nMAssay Description:Inhibition of human BChE pre-incubated for 6 mins before ATCI substrate addition and measured after 12 mins by DTNB reagent dependent UV-Vis spectrop...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Kakatiya University

Curated by ChEMBL
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibition of electric eel AChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
Kakatiya University

Curated by ChEMBL
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of equine serum BuChE by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Electrophorus electricus (Electric eel))
Kakatiya University

Curated by ChEMBL
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate preincubated for 10 mins followed by addition of substrate and measured a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Equus caballus (Horse))
Kakatiya University

Curated by ChEMBL
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  2.50E+4nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 10 mins followed by addition of substrate and measured ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Sun Yat-Sen University

Curated by ChEMBL
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50:  3.52E+4nMAssay Description:Inhibition of AChE (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetMevalonate kinase(Streptococcus pneumoniae D39)
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM50244216(2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | CH...)
Affinity DataIC50: >1.00E+7nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay