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BDBM50324849 4-hydroxy-7-((R)-1-hydroxy-2-((S)-1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl)benzo[d]thiazol-2(3H)-one::CHEMBL1221635

SMILES: O[C@@H](CN[C@H]1CCCc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12

InChI Key: InChIKey=VFSCBASJPGZOGO-HOCLYGCPSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324849   
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))
BDBM50324849
PNG
(4-hydroxy-7-((R)-1-hydroxy-2-((S)-1,2,3,4-tetrahyd...)
Show SMILES O[C@@H](CN[C@H]1CCCc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C19H20N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,8-9,14,16,20,22-23H,3,5,7,10H2,(H,21,24)/t14-,16-/m0/s1
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PC sid
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Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta2 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))
BDBM50324849
PNG
(4-hydroxy-7-((R)-1-hydroxy-2-((S)-1,2,3,4-tetrahyd...)
Show SMILES O[C@@H](CN[C@H]1CCCc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C19H20N2O3S/c22-15-9-8-13(18-17(15)21-19(24)25-18)16(23)10-20-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,8-9,14,16,20,22-23H,3,5,7,10H2,(H,21,24)/t14-,16-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
58n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]CGP12177 from human beta-1 adrenoceptor


Bioorg Med Chem Lett 20: 5302-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.136
BindingDB Entry DOI: 10.7270/Q2HD7VVM
More data for this
Ligand-Target Pair