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BDBM58948 4-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]amino]phenol;hydrochloride::4-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride::4-[[4-(tetrahydrofurfurylamino)quinazolin-2-yl]amino]phenol;hydrochloride::4-{4-[(Tetrahydro-furan-2-ylmethyl)-amino]-quinazolin-2-ylamino}-phenol::MLS000026780::SMR000014418::cid_2953078

SMILES: Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1

InChI Key: InChIKey=FWGCVDCPEJDAJG-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 58948   
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
large T antigen


(Simian virus 40)
BDBM58948
PNG
(4-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]amino...)
Show SMILES Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H20N4O2/c24-14-9-7-13(8-10-14)21-19-22-17-6-2-1-5-16(17)18(23-19)20-12-15-4-3-11-25-15/h1-2,5-10,15,24H,3-4,11-12H2,(H2,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.00E+4n/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2ZK5F47
More data for this
Ligand-Target Pair
large T antigen


(Simian virus 40)
BDBM58948
PNG
(4-[[4-(2-oxolanylmethylamino)-2-quinazolinyl]amino...)
Show SMILES Oc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1
Show InChI InChI=1S/C19H20N4O2/c24-14-9-7-13(8-10-14)21-19-22-17-6-2-1-5-16(17)18(23-19)20-12-15-4-3-11-25-15/h1-2,5-10,15,24H,3-4,11-12H2,(H2,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 9.48E+3n/an/an/an/an/an/a



Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay


Assay Description
A biochemical assay using the ADP-Hunter methodology, purified TAg, and ATP to identify compounds that inhibit the ATPase activity of Tag Southern Re...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2M61HQ8
More data for this
Ligand-Target Pair