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BDBM50405422 CHEMBL11467

SMILES: OC(CNCCNC(=O)Nc1ccccc1)COc1ccc(cc1)-c1ncc[nH]1

InChI Key: InChIKey=UEWUDFSGKGXWSF-UHFFFAOYNA-N

Data: 2 Kd

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 = 50405422   
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


(GUINEA PIG)
BDBM50405422
PNG
(CHEMBL11467)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccc(cc1)-c1ncc[nH]1
Show InChI InChI=1/C21H25N5O3/c27-18(14-22-10-11-25-21(28)26-17-4-2-1-3-5-17)15-29-19-8-6-16(7-9-19)20-23-12-13-24-20/h1-9,12-13,18,22,27H,10-11,14-15H2,(H,23,24)(H2,25,26,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.41E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-2 adrenergic receptor was measured by the inhibition of isoproterenol-induced relaxation of PGF2-alpha cont...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50405422
PNG
(CHEMBL11467)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccc(cc1)-c1ncc[nH]1
Show InChI InChI=1/C21H25N5O3/c27-18(14-22-10-11-25-21(28)26-17-4-2-1-3-5-17)15-29-19-8-6-16(7-9-19)20-23-12-13-24-20/h1-9,12-13,18,22,27H,10-11,14-15H2,(H,23,24)(H2,25,26,28)
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 44n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against beta-1 adrenergic receptor measured by inhibition of positive chronotropic effect of isoproterenolin in isolated...


J Med Chem 29: 1065-80 (1986)


Article DOI: 10.1021/jm00156a028
BindingDB Entry DOI: 10.7270/Q2BP0408
More data for this
Ligand-Target Pair