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BDBM50214222 CHEMBL399866::N-(5-(3-(3,4-dimethoxyphenethylamino)-2-hydroxypropyl)-2-hydroxyphenyl)methanesulfonamide

SMILES: COc1ccc(CCNCC(O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC

InChI Key: InChIKey=JEOKQVBQORZVAC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50214222   
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))		BDBM50214222
PNG
(CHEMBL399866 | N-(5-(3-(3,4-dimethoxyphenethylamin...)
Show SMILES COc1ccc(CCNCC(O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC |w:10.10|
Show InChI InChI=1S/C20H28N2O6S/c1-27-19-7-5-14(12-20(19)28-2)8-9-21-13-16(23)10-15-4-6-18(24)17(11-15)22-29(3,25)26/h4-7,11-12,16,21-24H,8-10,13H2,1-3H3
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Article
PubMed
 7.30E+3n/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