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BDBM50148495 (S)-(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-2-(4-methoxy-phenyl)-N-methyl-N-phenyl-acetamide::CHEMBL119539

SMILES: COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)N(C)c1ccccc1

InChI Key: InChIKey=SJTVHJUFQDROJV-ZEQRLZLVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50148495   
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-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50148495
PNG
((S)-(S)-2-[2-Hydroxy-2-((R)-4-hydroxy-3-methanesul...)
Show SMILES COc1ccc(cc1)[C@H](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)C(=O)N(C)c1ccccc1
Show InChI InChI=1S/C25H29N3O6S/c1-28(19-7-5-4-6-8-19)25(31)24(17-9-12-20(34-2)13-10-17)26-16-23(30)18-11-14-22(29)21(15-18)27-35(3,32)33/h4-15,23-24,26-27,29-30H,16H2,1-3H3/t23-,24-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
3.30E+4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human beta-3 adrenergic receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 3525-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.074
BindingDB Entry DOI: 10.7270/Q2MP52Q7
More data for this
Ligand-Target Pair