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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 = 'BDBM50214220'   
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))		BDBM50214220
PNG
(CHEMBL251555 | N-(5-((R)-3-((S)-1-(3,4-bis(difluor...)
Show SMILES CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O
Show InChI InChI=1S/C27H30F4N2O6S/c1-40(36,37)33-22-14-18(8-11-23(22)35)13-20(34)16-32-21(10-7-17-5-3-2-4-6-17)19-9-12-24(38-26(28)29)25(15-19)39-27(30)31/h2-6,8-9,11-12,14-15,20-21,26-27,32-35H,7,10,13,16H2,1H3/t20-,21+/m1/s1
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 490n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]iodocyanopindolol from human cloned adrenergic beta-1 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