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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 = 'BDBM50173102'   
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))		BDBM50173102
PNG
(CHEMBL3809032)
Show SMILES CCc1ccc(OCCNC(C)Cc2cc3CCN(CCCO)c3c(c2)C(N)=O)c(OC)c1
Show InChI InChI=1S/C26H37N3O4/c1-4-19-6-7-23(24(17-19)32-3)33-13-9-28-18(2)14-20-15-21-8-11-29(10-5-12-30)25(21)22(16-20)26(27)31/h6-7,15-18,28,30H,4-5,8-14H2,1-3H3,(H2,27,31)
UniProtKB/SwissProt

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 2.25E+3n/an/an/an/an/an/a



Chengdu University

Curated by ChEMBL


Assay Description
Antagonist activity at human alpha-1B adrenergic receptor transfected in HEK293 cells assessed as reduction in agonist-induced calcium mobilization a...

J Med Chem 59: 3826-39 (2016)


Article DOI: 10.1021/acs.jmedchem.5b02023
BindingDB Entry DOI: 10.7270/Q22N5461
More data for this
Ligand-Target Pair