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BDBM50324846 (R)-4-hydroxy-7-(1-hydroxy-2-(3-phenylpropylamino)ethyl)benzo[d]thiazol-2(3H)-one::CHEMBL1221589

InChI string: InChI=1S/C18H20N2O3S/c21-14-9-8-13(17-16(14)20-18(23)24-17)15(22)11-19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15,19,21-22H,4,7,10-11H2,(H,20,23)/t15-/m0/s1

SMILES: O[C@@H](CNCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12

InChI Key: InChIKey=FCMXOBKPGZCHAZ-HNNXBMFYSA-N

Data: 2 KI

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 2 hits for monomerid = 50324846   
Target
(Institution)
LigandTarget
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
Adrenergic beta-2 receptor (beta2)


(Homo sapiens (Human))
BDBM50324846
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(3-phenylpropylamino)...)
Show SMILES O[C@@H](CNCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C18H20N2O3S/c21-14-9-8-13(17-16(14)20-18(23)24-17)15(22)11-19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15,19,21-22H,4,7,10-11H2,(H,20,23)/t15-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.20n/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)

More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50324846
PNG
((R)-4-hydroxy-7-(1-hydroxy-2-(3-phenylpropylamino)...)
Show SMILES O[C@@H](CNCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12
Show InChI InChI=1S/C18H20N2O3S/c21-14-9-8-13(17-16(14)20-18(23)24-17)15(22)11-19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15,19,21-22H,4,7,10-11H2,(H,20,23)/t15-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
2n/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)

More data for this
Ligand-Target Pair