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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor beta' and Ligand = 'BDBM50224525'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224525
PNG
(CHEMBL383864)
Show SMILES COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
Show InChI InChI=1S/C60H92N2O15/c1-45(61(33-53(63)41-74-57-17-9-49(10-18-57)25-29-67-5)34-54(64)42-75-58-19-11-50(12-20-58)26-30-68-6)37-71-39-47(3)73-40-48(4)72-38-46(2)62(35-55(65)43-76-59-21-13-51(14-22-59)27-31-69-7)36-56(66)44-77-60-23-15-52(16-24-60)28-32-70-8/h9-24,45-48,53-56,63-66H,25-44H2,1-8H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from lung membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50224525
PNG
(CHEMBL383864)
Show SMILES COCCc1ccc(OCC(O)CN(CC(O)COc2ccc(CCOC)cc2)C(C)COCC(C)OCC(C)OCC(C)N(CC(O)COc2ccc(CCOC)cc2)CC(O)COc2ccc(CCOC)cc2)cc1
Show InChI InChI=1S/C60H92N2O15/c1-45(61(33-53(63)41-74-57-17-9-49(10-18-57)25-29-67-5)34-54(64)42-75-58-19-11-50(12-20-58)26-30-68-6)37-71-39-47(3)73-40-48(4)72-38-46(2)62(35-55(65)43-76-59-21-13-51(14-22-59)27-31-69-7)36-56(66)44-77-60-23-15-52(16-24-60)28-32-70-8/h9-24,45-48,53-56,63-66H,25-44H2,1-8H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a>1n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards rat beta adrenergic receptor from heart membranes.


J Med Chem 26: 7-11 (1983)


Article DOI: 10.1021/jm00355a002
More data for this
Ligand-Target Pair