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BDBM50073046 CHEMBL60116::N-(5-{(R)-2-[(R)-2-(3-Chloro-phenyl)-1-(4-difluoromethoxy-phenyl)-ethylamino]-1-hydroxy-ethyl}-2-hydroxy-phenyl)-methanesulfonamide

SMILES: CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1cccc(Cl)c1)c1ccc(OC(F)F)cc1

InChI Key: InChIKey=DSEGFUSAJVUFLK-OFNKIYASSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50073046   
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))
BDBM50073046
PNG
(CHEMBL60116 | N-(5-{(R)-2-[(R)-2-(3-Chloro-phenyl)...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CN[C@H](Cc1cccc(Cl)c1)c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C24H25ClF2N2O5S/c1-35(32,33)29-21-13-17(7-10-22(21)30)23(31)14-28-20(12-15-3-2-4-18(25)11-15)16-5-8-19(9-6-16)34-24(26)27/h2-11,13,20,23-24,28-31H,12,14H2,1H3/t20-,23+/m1/s1
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Article
PubMed
9n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards human Beta-3 adrenergic receptor


J Med Chem 42: 181-201 (1999)


Article DOI: 10.1021/jm980521l
BindingDB Entry DOI: 10.7270/Q2T43S8P
More data for this
Ligand-Target Pair