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BDBM95304 2-[2-(6-bromanylquinazolin-4-yl)oxyethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide::2-[[2-(6-bromoquinazolin-4-yl)oxyacetyl]-methyl-amino]-N-(p-tolyl)acetamide::2-[[2-(6-bromoquinazolin-4-yl)oxyacetyl]-methylamino]-N-(4-methylphenyl)acetamide::2-[[2-[(6-bromo-4-quinazolinyl)oxy]-1-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide::MLS002169748::SMR001250075::cid_16282512

SMILES: CN(CC(=O)Nc1ccc(C)cc1)C(=O)COc1ncnc2ccc(Br)cc12

InChI Key: InChIKey=QBGRWKZSULWWMY-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 = 95304   
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
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95304
PNG
(2-[2-(6-bromanylquinazolin-4-yl)oxyethanoyl-methyl...)
Show SMILES CN(CC(=O)Nc1ccc(C)cc1)C(=O)COc1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C20H19BrN4O3/c1-13-3-6-15(7-4-13)24-18(26)10-25(2)19(27)11-28-20-16-9-14(21)5-8-17(16)22-12-23-20/h3-9,12H,10-11H2,1-2H3,(H,24,26)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.60E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2KD1WJB
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95304
PNG
(2-[2-(6-bromanylquinazolin-4-yl)oxyethanoyl-methyl...)
Show SMILES CN(CC(=O)Nc1ccc(C)cc1)C(=O)COc1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C20H19BrN4O3/c1-13-3-6-15(7-4-13)24-18(26)10-25(2)19(27)11-28-20-16-9-14(21)5-8-17(16)22-12-23-20/h3-9,12H,10-11H2,1-2H3,(H,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.29E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q29W0D3P
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM95304
PNG
(2-[2-(6-bromanylquinazolin-4-yl)oxyethanoyl-methyl...)
Show SMILES CN(CC(=O)Nc1ccc(C)cc1)C(=O)COc1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C20H19BrN4O3/c1-13-3-6-15(7-4-13)24-18(26)10-25(2)19(27)11-28-20-16-9-14(21)5-8-17(16)22-12-23-20/h3-9,12H,10-11H2,1-2H3,(H,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.15E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FN14T0
More data for this
Ligand-Target Pair