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BDBM50243222 4-[(2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}propyl]biphenyl-4-carboxylic acid::CHEMBL507003

SMILES: C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1ccccc1

InChI Key: InChIKey=MGNBJHRLGKVHMH-HXOBKFHXSA-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 = 50243222   
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))
BDBM50243222
PNG
(4-[(2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...)
Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C24H25NO3/c1-17(25-16-23(26)21-5-3-2-4-6-21)15-18-7-9-19(10-8-18)20-11-13-22(14-12-20)24(27)28/h2-14,17,23,25-26H,15-16H2,1H3,(H,27,28)/t17-,23+/m1/s1
PDB
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Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50243222
PNG
(4-[(2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...)
Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C24H25NO3/c1-17(25-16-23(26)21-5-3-2-4-6-21)15-18-7-9-19(10-8-18)20-11-13-22(14-12-20)24(27)28/h2-14,17,23,25-26H,15-16H2,1H3,(H,27,28)/t17-,23+/m1/s1
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PC sid
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Article
PubMed
n/an/an/an/a 22n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50243222
PNG
(4-[(2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...)
Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1ccccc1 |r|
Show InChI InChI=1S/C24H25NO3/c1-17(25-16-23(26)21-5-3-2-4-6-21)15-18-7-9-19(10-8-18)20-11-13-22(14-12-20)24(27)28/h2-14,17,23,25-26H,15-16H2,1H3,(H,27,28)/t17-,23+/m1/s1
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 0.300n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair