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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-adrenergic receptor kinase 1' and Ligand = 'BDBM50191309'   
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


(Bos taurus)		BDBM50191309
PNG
(CHEMBL3919384)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O |r|
Show InChI InChI=1S/C41H68N12O12/c1-22(2)20-29(38(62)49-27(14-16-31(44)55)37(61)53-33(23(3)54)40(64)65)52-35(59)26(13-9-19-47-41(45)46)48-36(60)28(15-17-32(56)57)50-39(63)30(21-24-10-5-4-6-11-24)51-34(58)25(43)12-7-8-18-42/h4-6,10-11,22-23,25-30,33,54H,7-9,12-21,42-43H2,1-3H3,(H2,44,55)(H,48,60)(H,49,62)(H,50,63)(H,51,58)(H,52,59)(H,53,61)(H,56,57)(H,64,65)(H4,45,46,47)/t23-,25+,26+,27+,28+,29+,30+,33+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.60E+6n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine cerebral cortex GRK2 assessed as decrease in phosphorylation of beta-adrenoceptor in presence of [gamma-32P]-ATP by SDS-PAGE ana...

J Med Chem 59: 9277-9294 (2016)


BindingDB Entry DOI: 10.7270/Q2348NB9
More data for this
Ligand-Target Pair