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BDBM50218174 (R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylamino)-1-(pyridin-3-yl)ethanol::CHEMBL250144

SMILES: O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1

InChI Key: InChIKey=BJYIHFRHJDQJJX-QHCPKHFHSA-N

Data: 2 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 3 hits for monomerid = 50218174   
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-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50218174
PNG
((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218174
PNG
((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
500n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human adrenergic beta-2 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50218174
PNG
((R)-2-(2-(4-(2-phenylthiazol-4-yl)phenoxy)ethylami...)
Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1csc(n1)-c1ccccc1)c1cccnc1
Show InChI InChI=1S/C24H23N3O2S/c28-23(20-7-4-12-25-15-20)16-26-13-14-29-21-10-8-18(9-11-21)22-17-30-24(27-22)19-5-2-1-3-6-19/h1-12,15,17,23,26,28H,13-14,16H2/t23-/m0/s1
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UniProtKB/SwissProt

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PC sid
UniChem
Article
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n/an/an/an/a 580n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta-3 receptor expressed in CHO cells assessed as cAMP production


Bioorg Med Chem Lett 17: 5245-50 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.072
BindingDB Entry DOI: 10.7270/Q2MK6CMZ
More data for this
Ligand-Target Pair