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BDBM95011 2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine::2-(4-methylphenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinazolinamine::2-morpholinoethyl-[2-(p-tolyl)quinazolin-4-yl]amine::MLS000112897::SMR000108805::cid_800337

SMILES: Cc1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1

InChI Key: InChIKey=LBFQUIDVSVUBSY-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 95011   
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
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM95011
PNG
(2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinaz...)
Show SMILES Cc1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C21H24N4O/c1-16-6-8-17(9-7-16)20-23-19-5-3-2-4-18(19)21(24-20)22-10-11-25-12-14-26-15-13-25/h2-9H,10-15H2,1H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.60E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2GM85XC
More data for this
Ligand-Target Pair
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM95011
PNG
(2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinaz...)
Show SMILES Cc1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C21H24N4O/c1-16-6-8-17(9-7-16)20-23-19-5-3-2-4-18(19)21(24-20)22-10-11-25-12-14-26-15-13-25/h2-9H,10-15H2,1H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>8.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2DN43N5
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM95011
PNG
(2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinaz...)
Show SMILES Cc1ccc(cc1)-c1nc(NCCN2CCOCC2)c2ccccc2n1
Show InChI InChI=1S/C21H24N4O/c1-16-6-8-17(9-7-16)20-23-19-5-3-2-4-18(19)21(24-20)22-10-11-25-12-14-26-15-13-25/h2-9H,10-15H2,1H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.07E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2JD4VDZ
More data for this
Ligand-Target Pair