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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1B adrenergic receptor' and Ligand = 'BDBM50274055'   
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
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50274055
PNG
(CHEMBL4125846)
Show SMILES [H][C@]12CCCC[C@@]1([H])N(CCN2C(=O)Cc1ccc2ccccc2c1)c1nc(N)c2cc(OC)c(OC)cc2n1 |r|
Show InChI InChI=1S/C30H33N5O3/c1-37-26-17-22-23(18-27(26)38-2)32-30(33-29(22)31)35-14-13-34(24-9-5-6-10-25(24)35)28(36)16-19-11-12-20-7-3-4-8-21(20)15-19/h3-4,7-8,11-12,15,17-18,24-25H,5-6,9-10,13-14,16H2,1-2H3,(H2,31,32,33)/t24-,25+/m0/s1
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Article
PubMed
 1.20n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1B adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method

Bioorg Med Chem 26: 3502-3513 (2018)


Article DOI: 10.1016/j.bmc.2018.05.023
BindingDB Entry DOI: 10.7270/Q2X92DS4
More data for this
Ligand-Target Pair