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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 = 'BDBM50257429'   
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))
BDBM50257429
PNG
(CHEMBL4061438)
Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2Cl)nnc1-c1ccncc1
Show InChI InChI=1S/C23H21ClN6O/c1-30-21(28-29-22(30)16-9-11-25-12-10-16)15-26-19-7-4-6-17(13-19)23(31)27-14-18-5-2-3-8-20(18)24/h2-13,26H,14-15H2,1H3,(H,27,31)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/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))
BDBM50257429
PNG
(CHEMBL4061438)
Show SMILES Cn1c(CNc2cccc(c2)C(=O)NCc2ccccc2Cl)nnc1-c1ccncc1
Show InChI InChI=1S/C23H21ClN6O/c1-30-21(28-29-22(30)16-9-11-25-12-10-16)15-26-19-7-4-6-17(13-19)23(31)27-14-18-5-2-3-8-20(18)24/h2-13,26H,14-15H2,1H3,(H,27,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.30E+4n/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