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2 similar compounds to monomer 50212728

Compile data set for download or QSAR
Wt: 448.5
BDBM50212729
Wt: 434.5
BDBM50212730

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50212729,50212730   
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))
BDBM50212729
PNG
(CHEMBL230487 | N-benzyl-2-(3-((R)-2-((R)-2-hydroxy...)
Show SMILES C[C@H](Cc1cccc(CC(=O)NCc2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C27H32N2O4/c1-19(28-17-26(32)23-10-11-25(31)24(15-23)18-30)12-21-8-5-9-22(13-21)14-27(33)29-16-20-6-3-2-4-7-20/h2-11,13,15,19,26,28,30-32H,12,14,16-18H2,1H3,(H,29,33)/t19-,26+/m1/s1
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PC sid
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Article
PubMed
n/an/an/an/a 0.0960n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-2 adrenoceptor expressed in CHO cells assessed as elevation of cAMP


Bioorg Med Chem Lett 17: 4012-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.081
BindingDB Entry DOI: 10.7270/Q2M909G9
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50212730
PNG
((R)-N-benzyl-2-(3-(2-(2-hydroxy-2-(4-hydroxy-3-(hy...)
Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCc1cccc(CC(=O)NCc2ccccc2)c1
Show InChI InChI=1S/C26H30N2O4/c29-18-23-15-22(9-10-24(23)30)25(31)17-27-12-11-19-7-4-8-21(13-19)14-26(32)28-16-20-5-2-1-3-6-20/h1-10,13,15,25,27,29-31H,11-12,14,16-18H2,(H,28,32)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0960n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-2 adrenoceptor expressed in CHO cells assessed as elevation of cAMP


Bioorg Med Chem Lett 17: 4012-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.081
BindingDB Entry DOI: 10.7270/Q2M909G9
More data for this
Ligand-Target Pair