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BDBM50148500 (S)-2-(4-Difluoromethoxy-phenyl)-2-[2-hydroxy-2-((R)-4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-N-phenyl-propionamide::CHEMBL116080

SMILES: C[C@@](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(OC(F)F)cc1

InChI Key: InChIKey=PCLXSFNCKFHCGP-DHLKQENFSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50148500   
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))
BDBM50148500
PNG
((S)-2-(4-Difluoromethoxy-phenyl)-2-[2-hydroxy-2-((...)
Show SMILES C[C@@](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C25H27F2N3O6S/c1-25(23(33)29-18-6-4-3-5-7-18,17-9-11-19(12-10-17)36-24(26)27)28-15-22(32)16-8-13-21(31)20(14-16)30-37(2,34)35/h3-14,22,24,28,30-32H,15H2,1-2H3,(H,29,33)/t22-,25-/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
190n/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