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BDBM42511 (6-Bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)-acetic acid methyl ester::2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetic acid methyl ester::MLS000560994::SMR000175096::cid_2862130::methyl 2-(6-bromanyl-2-ethyl-4-phenyl-4H-quinazolin-3-yl)ethanoate::methyl 2-(6-bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)acetate

SMILES: CCC1=Nc2ccc(Br)cc2C(N1CC(=O)OC)c1ccccc1

InChI Key: InChIKey=HPGFBGDSTCAFDU-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 42511   
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
Neuropeptide Y receptor type 1


(Homo sapiens (Human))
BDBM42511
PNG
((6-Bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)-acet...)
Show SMILES CCC1=Nc2ccc(Br)cc2C(N1CC(=O)OC)c1ccccc1 |t:2|
Show InChI InChI=1S/C19H19BrN2O2/c1-3-17-21-16-10-9-14(20)11-15(16)19(13-7-5-4-6-8-13)22(17)12-18(23)24-2/h4-11,19H,3,12H2,1-2H3
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KEGG

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
Trypanothione Reductase (TryR)


(Trypanosoma brucei brucei)
BDBM42511
PNG
((6-Bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)-acet...)
Show SMILES CCC1=Nc2ccc(Br)cc2C(N1CC(=O)OC)c1ccccc1 |t:2|
Show InChI InChI=1S/C19H19BrN2O2/c1-3-17-21-16-10-9-14(20)11-15(16)19(13-7-5-4-6-8-13)22(17)12-18(23)24-2/h4-11,19H,3,12H2,1-2H3
PDB
MMDB

B.MOAD
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PC sid
UniChem
Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of recombinant trypanothione reductase from Trypanosoma brucei brucei S427 by DTNB-coupled spectrophotometric assay


J Med Chem 54: 6514-30 (2011)


Article DOI: 10.1021/jm200312v
More data for this
Ligand-Target Pair
High-affinity choline transporter


(Homo sapiens (Human))
BDBM42511
PNG
((6-Bromo-2-ethyl-4-phenyl-4H-quinazolin-3-yl)-acet...)
Show SMILES CCC1=Nc2ccc(Br)cc2C(N1CC(=O)OC)c1ccccc1 |t:2|
Show InChI InChI=1S/C19H19BrN2O2/c1-3-17-21-16-10-9-14(20)11-15(16)19(13-7-5-4-6-8-13)22(17)12-18(23)24-2/h4-11,19H,3,12H2,1-2H3
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KEGG

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antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.43E+4n/an/an/an/a



Johns Hopkins Ion Channel Center

Curated by PubChem BioAssay


Assay Description
Data Source (MLPCN Center Name): Johns Hopkins Ion Channel Center (JHICC) Center Affiliation: Johns Hopkins University, School of Medicine Screening ...


PubChem Bioassay (2012)

More data for this
Ligand-Target Pair