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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-adrenergic receptor kinase 1' and Ligand = 'BDBM50113255'   
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-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50113255
PNG
(5-[2-(5-Nitro-furan-2-yl)-vinyl]-furan-2-carboxyli...)
Show SMILES COC(=O)c1ccc(\C=C\c2ccc(o2)[N+]([O-])=O)o1
Show InChI InChI=1S/C12H9NO6/c1-17-12(14)10-6-4-8(18-10)2-3-9-5-7-11(19-9)13(15)16/h2-7H,1H3/b3-2+
PDB
MMDB

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CHEMBL
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.26E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00302
BindingDB Entry DOI: 10.7270/Q20Z779V
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50113255
PNG
(5-[2-(5-Nitro-furan-2-yl)-vinyl]-furan-2-carboxyli...)
Show SMILES COC(=O)c1ccc(\C=C\c2ccc(o2)[N+]([O-])=O)o1
Show InChI InChI=1S/C12H9NO6/c1-17-12(14)10-6-4-8(18-10)2-3-9-5-7-11(19-9)13(15)16/h2-7H,1H3/b3-2+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem
PubMed
n/an/a 1.26E+5n/an/an/an/an/an/a



Daiichi Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Beta-adrenergic receptor kinase 1


J Med Chem 45: 2150-9 (2002)


BindingDB Entry DOI: 10.7270/Q2Q81CCR
More data for this
Ligand-Target Pair