BindingDB logo
myBDB logout

4 similar compounds to monomer 50241366

Compile data set for download or QSAR
Wt: 293.4
BDBM63958
Purchase
Wt: 237.3
BDBM50406702
Purchase
Wt: 223.3
BDBM50405633
Purchase
Wt: 237.3
BDBM50421719
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 63958,50406702,50405633,50421719   
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)
BDBM63958
PNG
(1-(2,6-dimethyl-4-morpholinyl)-3-(3,5-dimethylphen...)
Show SMILES CC1CN(CC(O)COc2cc(C)cc(C)c2)CC(C)O1
Show InChI InChI=1S/C17H27NO3/c1-12-5-13(2)7-17(6-12)20-11-16(19)10-18-8-14(3)21-15(4)9-18/h5-7,14-16,19H,8-11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.29E+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
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50405633
PNG
(CHEMBL67151)
Show SMILES CC(C)NCC(O)COc1ccc(C)cc1
Show InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 4n/an/an/an/an/a



Universidad de Barcelona

Curated by ChEMBL


Assay Description
Beta-1 adrenergic receptor activitation measured by isoprenaline-induced positive inotropic effect in guinea pig left atrium


J Med Chem 31: 2122-6 (1988)


Article DOI: 10.1021/jm00119a011
BindingDB Entry DOI: 10.7270/Q2J67J4Q
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50421719
PNG
(CHEMBL1159714 | Ko 707)
Show SMILES CC(C)NCC(O)COc1cc(C)cc(C)c1
Show InChI InChI=1S/C14H23NO2/c1-10(2)15-8-13(16)9-17-14-6-11(3)5-12(4)7-14/h5-7,10,13,15-16H,8-9H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)


J Med Chem 28: 1328-34 (1985)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
ADRB2


(BOVINE)
BDBM50421719
PNG
(CHEMBL1159714 | Ko 707)
Show SMILES CC(C)NCC(O)COc1cc(C)cc(C)c1
Show InChI InChI=1S/C14H23NO2/c1-10(2)15-8-13(16)9-17-14-6-11(3)5-12(4)7-14/h5-7,10,13,15-16H,8-9H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 10n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)


J Med Chem 28: 1328-34 (1985)


Article DOI: 10.1021/jm00147a037
BindingDB Entry DOI: 10.7270/Q2HX1DZG
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(GUINEA PIG)
BDBM50405633
PNG
(CHEMBL67151)
Show SMILES CC(C)NCC(O)COc1ccc(C)cc1
Show InChI InChI=1S/C13H21NO2/c1-10(2)14-8-12(15)9-16-13-6-4-11(3)5-7-13/h4-7,10,12,14-15H,8-9H2,1-3H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 7.08n/an/an/an/an/a



Universidad de Barcelona

Curated by ChEMBL


Assay Description
Antagonism of isoprenaline-induced relaxation of guinea pig tracheal chains, contracted with carbachol


J Med Chem 31: 2122-6 (1988)


Article DOI: 10.1021/jm00119a011
BindingDB Entry DOI: 10.7270/Q2J67J4Q
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50406702
PNG
(CHEMBL143467)
Show SMILES CCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C14H23NO2/c1-4-12-5-7-14(8-6-12)17-10-13(16)9-15-11(2)3/h5-8,11,13,15-16H,4,9-10H2,1-3H3
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 63n/an/an/an/an/a



University of Melbourne

Curated by ChEMBL


Assay Description
Activity at beta-1 adrenergic receptor


J Med Chem 35: 4676-82 (1993)


Article DOI: 10.1021/jm00103a004
BindingDB Entry DOI: 10.7270/Q2KS6SRG
More data for this
Ligand-Target Pair