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BDBM50299890 5-hydroxy-8-(1-hydroxy-2-(1-(4-hydroxyphenyl)-2-methylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one::CHEMBL568272

SMILES: CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12

InChI Key: InChIKey=RTMYEPMSIONNFA-UHFFFAOYSA-N

Data: 2 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50299890   
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-1 adrenergic receptor


(Homo sapiens (human))
BDBM50299890
PNG
(5-hydroxy-8-(1-hydroxy-2-(1-(4-hydroxyphenyl)-2-me...)
Show SMILES CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C20H24N2O5/c1-20(2,9-12-3-5-13(23)6-4-12)21-10-16(25)14-7-8-15(24)18-19(14)27-11-17(26)22-18/h3-8,16,21,23-25H,9-11H2,1-2H3,(H,22,26)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.900n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50299890
PNG
(5-hydroxy-8-(1-hydroxy-2-(1-(4-hydroxyphenyl)-2-me...)
Show SMILES CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C20H24N2O5/c1-20(2,9-12-3-5-13(23)6-4-12)21-10-16(25)14-7-8-15(24)18-19(14)27-11-17(26)22-18/h3-8,16,21,23-25H,9-11H2,1-2H3,(H,22,26)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.100n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 2 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair