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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 = 'BDBM50257438'   
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))
BDBM50257438
PNG
(CHEMBL4086619)
Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
Show InChI InChI=1S/C23H22N6O/c1-29-21(27-28-22(29)18-10-12-24-13-11-18)16-25-20-9-5-8-19(14-20)23(30)26-15-17-6-3-2-4-7-17/h2-14,25H,15-16H2,1H3,(H,26,30)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 45n/an/an/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...


J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
BindingDB Entry DOI: 10.7270/Q280552Z
More data for this
Ligand-Target Pair
Beta-adrenergic receptor kinase 1


(Homo sapiens (Human))
BDBM50257438
PNG
(CHEMBL4086619)
Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2)nnc1-c1ccncc1
Show InChI InChI=1S/C23H22N6O/c1-29-21(27-28-22(29)18-10-12-24-13-11-18)16-25-20-9-5-8-19(14-20)23(30)26-15-17-6-3-2-4-7-17/h2-14,25H,15-16H2,1H3,(H,26,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.90E+6n/an/an/an/a



Shonan Research Center, Pharmaceutical Research Division, Takeda Pharmaceutical Co., Ltd. , 26-1, Muraoka-Higashi 2-Chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of human GRK2 expressed in HEK-B2 cells assessed as isoproterenol-stimulated cAMP accumulation preincubation for 20 mins followed by isopr...


J Med Chem 60: 6942-6990 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00443
BindingDB Entry DOI: 10.7270/Q280552Z
More data for this
Ligand-Target Pair