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BDBM50324839 (R)-7-(2-(2-ethylbutylamino)-1-hydroxyethyl)-4-hydroxybenzo[d]thiazol-2(3H)-one::CHEMBL1221540

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

InChI Key: InChIKey=CBBYAUBNLOWPPV-LBPRGKRZSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50324839   
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))
BDBM50324839
PNG
((R)-7-(2-(2-ethylbutylamino)-1-hydroxyethyl)-4-hyd...)
Show SMILES CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C15H22N2O3S/c1-3-9(4-2)7-16-8-12(19)10-5-6-11(18)13-14(10)21-15(20)17-13/h5-6,9,12,16,18-19H,3-4,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/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))
BDBM50324839
PNG
((R)-7-(2-(2-ethylbutylamino)-1-hydroxyethyl)-4-hyd...)
Show SMILES CCC(CC)CNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r|
Show InChI InChI=1S/C15H22N2O3S/c1-3-9(4-2)7-16-8-12(19)10-5-6-11(18)13-14(10)21-15(20)17-13/h5-6,9,12,16,18-19H,3-4,7-8H2,1-2H3,(H,17,20)/t12-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
169n/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