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BDBM50193801 (S)-6-(4-(2-(3-(3-(2-cyclopentylethyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-4-yloxy)-2-hydroxypropylamino)-2-methylpropyl)phenoxy)nicotinamide::CHEMBL218210

SMILES: CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12

InChI Key: InChIKey=WMTONJUBNSRUDJ-VWLOTQADSA-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 = 50193801   
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))
BDBM50193801
PNG
((S)-6-(4-(2-(3-(3-(2-cyclopentylethyl)-2-oxo-2,3-d...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12
Show InChI InChI=1S/C33H41N5O5/c1-33(2,18-23-10-13-26(14-11-23)43-29-15-12-24(19-35-29)31(34)40)36-20-25(39)21-42-28-9-5-8-27-30(28)38(32(41)37-27)17-16-22-6-3-4-7-22/h5,8-15,19,22,25,36,39H,3-4,6-7,16-18,20-21H2,1-2H3,(H2,34,40)(H,37,41)/t25-/m0/s1
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Article
PubMed
n/an/an/an/a 2.40n/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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50193801
PNG
((S)-6-(4-(2-(3-(3-(2-cyclopentylethyl)-2-oxo-2,3-d...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12
Show InChI InChI=1S/C33H41N5O5/c1-33(2,18-23-10-13-26(14-11-23)43-29-15-12-24(19-35-29)31(34)40)36-20-25(39)21-42-28-9-5-8-27-30(28)38(32(41)37-27)17-16-22-6-3-4-7-22/h5,8-15,19,22,25,36,39H,3-4,6-7,16-18,20-21H2,1-2H3,(H2,34,40)(H,37,41)/t25-/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-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
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50193801
PNG
((S)-6-(4-(2-(3-(3-(2-cyclopentylethyl)-2-oxo-2,3-d...)
Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12
Show InChI InChI=1S/C33H41N5O5/c1-33(2,18-23-10-13-26(14-11-23)43-29-15-12-24(19-35-29)31(34)40)36-20-25(39)21-42-28-9-5-8-27-30(28)38(32(41)37-27)17-16-22-6-3-4-7-22/h5,8-15,19,22,25,36,39H,3-4,6-7,16-18,20-21H2,1-2H3,(H2,34,40)(H,37,41)/t25-/m0/s1
PDB

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UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
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Article
PubMed
n/an/an/an/a 12n/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