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3 similar compounds to monomer 50257750

Compile data set for download or QSAR
Wt: 280.1
BDBM62911
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Wt: 268.1
BDBM94320
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Wt: 266.1
BDBM50257749
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 62911,94320,50257749   
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
Hsf1 protein


(Mus musculus)
BDBM62911
PNG
((6-Bromo-quinazolin-4-yl)-diethyl-amine | (6-bromo...)
Show SMILES CCN(CC)c1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C12H14BrN3/c1-3-16(4-2)12-10-7-9(13)5-6-11(10)14-8-15-12/h5-8H,3-4H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.38E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))
BDBM50257749
PNG
(6-bromo-N-propylquinazolin-4-amine | CHEMBL449571)
Show SMILES CCCNc1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C11H12BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h3-4,6-7H,2,5H2,1H3,(H,13,14,15)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.00E+4n/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Huntingtin protein (unknown origin) aggregation by yeast based assay


Bioorg Med Chem Lett 19: 1715-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.087
BindingDB Entry DOI: 10.7270/Q2Q2403P
More data for this
Ligand-Target Pair
Huntingtin


(Homo sapiens (Human))
BDBM50257749
PNG
(6-bromo-N-propylquinazolin-4-amine | CHEMBL449571)
Show SMILES CCCNc1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C11H12BrN3/c1-2-5-13-11-9-6-8(12)3-4-10(9)14-7-15-11/h3-4,6-7H,2,5H2,1H3,(H,13,14,15)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.13E+3n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of Huntingtin protein aggregation by cell based assay


Bioorg Med Chem Lett 19: 1715-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.087
BindingDB Entry DOI: 10.7270/Q2Q2403P
More data for this
Ligand-Target Pair
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens (Human))
BDBM94320
PNG
(2-(6-Bromo-quinazolin-4-ylamino)-ethanol | 2-[(6-b...)
Show SMILES OCCNc1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C10H10BrN3O/c11-7-1-2-9-8(5-7)10(12-3-4-15)14-6-13-9/h1-2,5-6,15H,3-4H2,(H,12,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair