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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 = 'BDBM50099151'   
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))
BDBM50099151
PNG
(CHEMBL177442 | N'-[5-(4-{4-[(S)-2-Hydroxy-3-(2-oxo...)
Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12
Show InChI InChI=1S/C28H34N8O4S/c1-35(2)26(29)34-28-33-25(38)23(41-28)14-17-6-8-19(9-7-17)36-12-10-18(11-13-36)30-15-20(37)16-40-22-5-3-4-21-24(22)32-27(39)31-21/h3-9,14,18,20,30,37H,10-13,15-16H2,1-2H3,(H2,31,32,39)(H2,29,33,34,38)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.80n/an/an/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair