BindingDB logo
myBDB logout

2 similar compounds to monomer 25771

Wt: 413.5
BDBM50348432
Wt: 327.4
BDBM50416068

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50348432,50416068   
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
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50348432
PNG
(CHEMBL1800935)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCCCCCCc1ccccc1
Show InChI InChI=1S/C26H39NO3/c28-21-24-19-23(16-17-25(24)29)26(30)20-27-18-12-7-5-3-1-2-4-6-9-13-22-14-10-8-11-15-22/h8,10-11,14-17,19,26-30H,1-7,9,12-13,18,20-21H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [125I]-CYP from human beta2-adrenergic receptor expressed in COS-7 cells by gamma counting


Bioorg Med Chem 18: 728-36 (2010)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50348432
PNG
(CHEMBL1800935)
Show SMILES OCc1cc(ccc1O)C(O)CNCCCCCCCCCCCc1ccccc1
Show InChI InChI=1S/C26H39NO3/c28-21-24-19-23(16-17-25(24)29)26(30)20-27-18-12-7-5-3-1-2-4-6-9-13-22-14-10-8-11-15-22/h8,10-11,14-17,19,26-30H,1-7,9,12-13,18,20-21H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Medical University of Lublin

Curated by ChEMBL


Assay Description
Displacement of [125I]-CYP from human beta1-adrenergic receptor expressed in COS-7 cells by gamma counting


Bioorg Med Chem 18: 728-36 (2010)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50416068
PNG
(CHEMBL1083884)
Show SMILES OCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C17H29NO5/c19-8-10-23-9-4-2-1-3-7-18-12-17(22)14-5-6-16(21)15(11-14)13-20/h5-6,11,17-22H,1-4,7-10,12-13H2/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a<2.51E+4n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation afte...


J Med Chem 53: 4522-30 (2010)

More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (human))
BDBM50416068
PNG
(CHEMBL1083884)
Show SMILES OCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C17H29NO5/c19-8-10-23-9-4-2-1-3-7-18-12-17(22)14-5-6-16(21)15(11-14)13-20/h5-6,11,17-22H,1-4,7-10,12-13H2/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.26E+4n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation after...


J Med Chem 53: 4522-30 (2010)

More data for this
Ligand-Target Pair
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50416068
PNG
(CHEMBL1083884)
Show SMILES OCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C17H29NO5/c19-8-10-23-9-4-2-1-3-7-18-12-17(22)14-5-6-16(21)15(11-14)13-20/h5-6,11,17-22H,1-4,7-10,12-13H2/t17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 2.51E+3n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation after...


J Med Chem 53: 4522-30 (2010)

More data for this
Ligand-Target Pair