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BDBM50318979 1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol::CHEMBL1083668

SMILES: CC(C)c1ccccc1OCC(O)CN1CCOCC1

InChI Key: InChIKey=OFEYQVJHAZFCJS-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50318979   
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
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50318979
PNG
(1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol | C...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCOCC1
Show InChI InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
PDB
MMDB

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PC sid
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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50318979
PNG
(1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol | C...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCOCC1
Show InChI InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
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12n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50318979
PNG
(1-(2-isopropylphenoxy)-3-morpholinopropan-2-ol | C...)
Show SMILES CC(C)c1ccccc1OCC(O)CN1CCOCC1
Show InChI InChI=1S/C16H25NO3/c1-13(2)15-5-3-4-6-16(15)20-12-14(18)11-17-7-9-19-10-8-17/h3-6,13-14,18H,7-12H2,1-2H3
Reactome pathway
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UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.77E+3n/an/an/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Antagonist activity at human adrenergic beta3 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay


Bioorg Med Chem Lett 20: 3399-404 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.009
BindingDB Entry DOI: 10.7270/Q2D21XSW
More data for this
Ligand-Target Pair