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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-adrenergic receptor kinase 2' and Ligand = 'BDBM50191312'   
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 2


(Bos taurus)
BDBM50191312
PNG
(CHEMBL3900757)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)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)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1S/C113H183N29O32/c1-15-58(7)86(137-93(154)61(10)124-108(169)88(62(11)144)139-94(155)70(117)34-23-26-46-114)106(167)123-60(9)92(153)125-71(35-24-27-47-115)95(156)131-77(51-66-30-19-17-20-31-66)100(161)128-74(43-45-84(151)152)97(158)126-72(37-29-49-122-113(120)121)96(157)130-76(50-56(3)4)99(160)127-73(42-44-82(118)149)98(159)140-91(65(14)147)111(172)136-85(57(5)6)105(166)141-89(63(12)145)109(170)134-80(54-83(119)150)102(163)132-78(53-68-38-40-69(148)41-39-68)101(162)133-79(52-67-32-21-18-22-33-67)103(164)138-87(59(8)16-2)107(168)142-90(64(13)146)110(171)135-81(55-143)104(165)129-75(112(173)174)36-25-28-48-116/h17-22,30-33,38-41,56-65,70-81,85-91,143-148H,15-16,23-29,34-37,42-55,114-117H2,1-14H3,(H2,118,149)(H2,119,150)(H,123,167)(H,124,169)(H,125,153)(H,126,158)(H,127,160)(H,128,161)(H,129,165)(H,130,157)(H,131,156)(H,132,163)(H,133,162)(H,134,170)(H,135,171)(H,136,172)(H,137,154)(H,138,164)(H,139,155)(H,140,159)(H,141,166)(H,142,168)(H,151,152)(H,173,174)(H4,120,121,122)/t58-,59-,60-,61-,62+,63+,64+,65+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,85-,86-,87-,88-,89-,90-,91-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.04E+4n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine GRK3 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments ...


J Med Chem 59: 9277-9294 (2016)


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