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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 = 'BDBM50191313'   
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)
BDBM50191313
PNG
(CHEMBL3931500)
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](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C112H178N28O34/c1-15-56(7)85(135-92(154)59(10)122-107(169)87(60(11)142)137-93(155)68(115)32-23-25-45-113)105(167)121-58(9)91(153)123-69(33-24-26-46-114)94(156)129-75(49-64-28-19-17-20-29-64)99(161)126-72(40-43-82(149)150)96(158)124-70(34-27-47-120-112(118)119)95(157)128-74(48-54(3)4)98(160)125-71(39-42-80(116)147)97(159)138-90(63(14)145)110(172)134-84(55(5)6)104(166)139-88(61(12)143)108(170)132-78(52-81(117)148)101(163)130-76(51-66-35-37-67(146)38-36-66)100(162)131-77(50-65-30-21-18-22-31-65)102(164)136-86(57(8)16-2)106(168)140-89(62(13)144)109(171)133-79(53-141)103(165)127-73(111(173)174)41-44-83(151)152/h17-22,28-31,35-38,54-63,68-79,84-90,141-146H,15-16,23-27,32-34,39-53,113-115H2,1-14H3,(H2,116,147)(H2,117,148)(H,121,167)(H,122,169)(H,123,153)(H,124,158)(H,125,160)(H,126,161)(H,127,165)(H,128,157)(H,129,156)(H,130,163)(H,131,162)(H,132,170)(H,133,171)(H,134,172)(H,135,154)(H,136,164)(H,137,155)(H,138,159)(H,139,166)(H,140,168)(H,149,150)(H,151,152)(H,173,174)(H4,118,119,120)/t56-,57-,58-,59-,60+,61+,62+,63+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,84-,85-,86-,87-,88-,89-,90-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.10E+3n/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