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BDBM50214217 CHEMBL401334::N-(5-((R)-4-((R)-1-(4-(difluoromethoxy)phenyl)-2-phenylethylamino)-3-hydroxybutyl)-2-hydroxyphenyl)methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc(CC[C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O

InChI Key: InChIKey=MQEQMQDFRYVBCZ-FYYLOGMGSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50214217   
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))
BDBM50214217
PNG
(CHEMBL401334 | N-(5-((R)-4-((R)-1-(4-(difluorometh...)
Show SMILES CS(=O)(=O)Nc1cc(CC[C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O
Show InChI InChI=1S/C26H30F2N2O5S/c1-36(33,34)30-24-16-19(8-14-25(24)32)7-11-21(31)17-29-23(15-18-5-3-2-4-6-18)20-9-12-22(13-10-20)35-26(27)28/h2-6,8-10,12-14,16,21,23,26,29-32H,7,11,15,17H2,1H3/t21-,23-/m1/s1
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Similars

Article
PubMed
880n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells


Bioorg Med Chem Lett 17: 4290-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.030
BindingDB Entry DOI: 10.7270/Q2M61JZT
More data for this
Ligand-Target Pair