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BDBM50289567 2-(4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-phenoxy)-acetamide::CHEMBL38569

SMILES: C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1

InChI Key: InChIKey=MDPGYFIGIJWUFG-ACJLOTCBSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50289567   
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))
BDBM50289567
PNG
(2-(4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-eth...)
Show SMILES C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(22-11-18(23)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(21)24/h2-8,10,13,18,22-23H,9,11-12H2,1H3,(H2,21,24)/t13-,18+/m1/s1
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Article
170n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to human Beta-2 adrenergic receptor using membranes of stably transfected CHO cells


Bioorg Med Chem Lett 7: 1583-1588 (1997)


Article DOI: 10.1016/S0960-894X(97)00266-7
BindingDB Entry DOI: 10.7270/Q24749VQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50289567
PNG
(2-(4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-eth...)
Show SMILES C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(22-11-18(23)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(21)24/h2-8,10,13,18,22-23H,9,11-12H2,1H3,(H2,21,24)/t13-,18+/m1/s1
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Article
590n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to human Beta-1 adrenergic receptor using membranes of stably transfected CHO cells


Bioorg Med Chem Lett 7: 1583-1588 (1997)


Article DOI: 10.1016/S0960-894X(97)00266-7
BindingDB Entry DOI: 10.7270/Q24749VQ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50289567
PNG
(2-(4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-eth...)
Show SMILES C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(22-11-18(23)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(21)24/h2-8,10,13,18,22-23H,9,11-12H2,1H3,(H2,21,24)/t13-,18+/m1/s1
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Article
3.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to bind to human Beta-3 adrenergic receptor using membranes of stably transfected CHO cells


Bioorg Med Chem Lett 7: 1583-1588 (1997)


Article DOI: 10.1016/S0960-894X(97)00266-7
BindingDB Entry DOI: 10.7270/Q24749VQ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50289567
PNG
(2-(4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-eth...)
Show SMILES C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H23ClN2O3/c1-13(22-11-18(23)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(21)24/h2-8,10,13,18,22-23H,9,11-12H2,1H3,(H2,21,24)/t13-,18+/m1/s1
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Article
n/an/an/an/a 1.61E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Effective concentration for stimulation of adenylyl cyclase activity in CHO-beta3 AR expressing cell membranes


Bioorg Med Chem Lett 7: 1583-1588 (1997)


Article DOI: 10.1016/S0960-894X(97)00266-7
BindingDB Entry DOI: 10.7270/Q24749VQ
More data for this
Ligand-Target Pair