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BDBM50299900 5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one::CHEMBL579394

SMILES: Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c2NC(=O)COc12

InChI Key: InChIKey=NWQXBEWHTDRJIP-UHFFFAOYSA-N

Data: 2 EC50

PDB links: 3 PDB IDs match this monomer.

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 2 hits for monomerid = 50299900   
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))
BDBM50299900
PNG
(5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan...)
Show SMILES Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/an/a 0.600n/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))
BDBM50299900
PNG
(5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan...)
Show SMILES Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
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
3D
3D Structure (crystal)