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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 = 'BDBM50191315'   
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)		BDBM50191315
PNG
(CHEMBL3900347)
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](CCCCN)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
Show InChI InChI=1S/C57H95N17O18/c1-27(2)24-37(51(86)67-35(18-20-40(60)77)50(85)73-45(31(7)76)55(90)72-43(28(3)4)53(88)74-44(30(6)75)54(89)71-39(56(91)92)26-41(61)78)69-48(83)34(17-13-23-64-57(62)63)66-49(84)36(19-21-42(79)80)68-52(87)38(25-32-14-9-8-10-15-32)70-47(82)33(16-11-12-22-58)65-46(81)29(5)59/h8-10,14-15,27-31,33-39,43-45,75-76H,11-13,16-26,58-59H2,1-7H3,(H2,60,77)(H2,61,78)(H,65,81)(H,66,84)(H,67,86)(H,68,87)(H,69,83)(H,70,82)(H,71,89)(H,72,90)(H,73,85)(H,74,88)(H,79,80)(H,91,92)(H4,62,63,64)/t29-,30+,31+,33-,34-,35-,36-,37-,38-,39-,43-,44-,45-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.60E+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