BDBM78638 3-[[2-(3-pyridinyl)-4-quinazolinyl]amino]benzoic acid ethyl ester;hydrochloride::3-[[2-(3-pyridyl)quinazolin-4-yl]amino]benzoic acid ethyl ester;hydrochloride::MLS000574315::SMR000195906::cid_2790335::ethyl 3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzoate;hydrochloride::ethyl 3-{[2-(3-pyridinyl)-4-quinazolinyl]amino}benzoate hydrochloride

SMILES CCOC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1

InChI Key InChIKey=UVPORWBRSBFWIW-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 78638   

TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78638(3-[[2-(3-pyridinyl)-4-quinazolinyl]amino]benzoic a...)
Affinity DataIC50:  1.45E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetStructural capsid protein(Human immunodeficiency virus 1)
Charles University

Curated by ChEMBL
LigandPNGBDBM78638(3-[[2-(3-pyridinyl)-4-quinazolinyl]amino]benzoic a...)
Affinity DataIC50:  6.80E+4nMAssay Description:Binding affinity to recombinant N-terminal GST-tagged HIV1 NL4-3 capsid C-terminal domain (146 to 231 residues) incubated for 2 hrs by alphascreen as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78638(3-[[2-(3-pyridinyl)-4-quinazolinyl]amino]benzoic a...)
Affinity DataIC50:  1.52E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetBcl-2-related protein A1(Mus musculus (Mouse))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78638(3-[[2-(3-pyridinyl)-4-quinazolinyl]amino]benzoic a...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay