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BDBM50193802 (S)-6-(4-(2-(3-(3-ethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)-2-hydroxypropylamino)-2-methylpropyl)phenoxy)nicotinamide::CHEMBL384560

SMILES: CCn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O

InChI Key: InChIKey=XUDGCOWUVGYAJW-FQEVSTJZSA-N

Data: 3 EC50

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 3 hits for monomerid = 50193802   
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


(Homo sapiens (Human))
BDBM50193802
PNG
((S)-6-(4-(2-(3-(3-ethyl-2-oxo-2,3-dihydro-1H-benzo...)
Show SMILES CCn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
Show InChI InChI=1S/C28H33N5O5/c1-4-33-25-22(32-27(33)36)6-5-7-23(25)37-17-20(34)16-31-28(2,3)14-18-8-11-21(12-9-18)38-24-13-10-19(15-30-24)26(29)35/h5-13,15,20,31,34H,4,14,16-17H2,1-3H3,(H2,29,35)(H,32,36)/t20-/m0/s1
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Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-2 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50193802
PNG
((S)-6-(4-(2-(3-(3-ethyl-2-oxo-2,3-dihydro-1H-benzo...)
Show SMILES CCn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
Show InChI InChI=1S/C28H33N5O5/c1-4-33-25-22(32-27(33)36)6-5-7-23(25)37-17-20(34)16-31-28(2,3)14-18-8-11-21(12-9-18)38-24-13-10-19(15-30-24)26(29)35/h5-13,15,20,31,34H,4,14,16-17H2,1-3H3,(H2,29,35)(H,32,36)/t20-/m0/s1
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Article
PubMed
n/an/an/an/a 5.20n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta3 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50193802
PNG
((S)-6-(4-(2-(3-(3-ethyl-2-oxo-2,3-dihydro-1H-benzo...)
Show SMILES CCn1c2c(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(cn4)C(N)=O)cc3)cccc2[nH]c1=O
Show InChI InChI=1S/C28H33N5O5/c1-4-33-25-22(32-27(33)36)6-5-7-23(25)37-17-20(34)16-31-28(2,3)14-18-8-11-21(12-9-18)38-24-13-10-19(15-30-24)26(29)35/h5-13,15,20,31,34H,4,14,16-17H2,1-3H3,(H2,29,35)(H,32,36)/t20-/m0/s1
PDB

Reactome pathway
KEGG

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP levels


Bioorg Med Chem Lett 16: 5691-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.010
BindingDB Entry DOI: 10.7270/Q2251HVR
More data for this
Ligand-Target Pair