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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 = 'BDBM50090156'   
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))		BDBM50090156
PNG
(CHEMBL37512 | N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-y...)
Show SMILES Cc1nc(co1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
Show InChI InChI=1S/C25H26N4O4S/c1-18-28-24(17-33-18)20-6-10-23(11-7-20)34(31,32)29-22-8-4-19(5-9-22)12-14-27-16-25(30)21-3-2-13-26-15-21/h2-11,13,15,17,25,27,29-30H,12,14,16H2,1H3/t25-/m0/s1
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PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity at beta-1 adrenergic receptors in the presence of [125]iodocyanopindolol.

Bioorg Med Chem Lett 10: 1531-4 (2000)


BindingDB Entry DOI: 10.7270/Q21C1W4N
More data for this
Ligand-Target Pair