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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-1 adrenergic receptor' and Ligand = 'BDBM50092649'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50092649
PNG
(4-[4-(2,3-Difluoro-phenyl)-thiazol-2-yl]-N-{4-[2-(...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cccc(F)c2F)cc1)c1cccnc1
Show InChI InChI=1S/C30H26F2N4O3S2/c31-26-5-1-4-25(29(26)32)27-19-40-30(35-27)21-8-12-24(13-9-21)41(38,39)36-23-10-6-20(7-11-23)14-16-34-18-28(37)22-3-2-15-33-17-22/h1-13,15,17,19,28,34,36-37H,14,16,18H2/t28-/m0/s1
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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro functional efficacy in stimulating increase in cAMP in chinese hamster ovary (CHO) cells expressing the cloned human beta-1 receptor.

J Med Chem 43: 3832-6 (2000)


BindingDB Entry DOI: 10.7270/Q2057F5M
More data for this
Ligand-Target Pair