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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 = 'BDBM50191310'   
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)		BDBM50191310
PNG
(CHEMBL3971763)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)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@@H](C)O)C(C)C)[C@@H](C)O)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/C94H148N24O27/c1-11-49(6)73(89(140)118-75(52(9)121)91(142)113-68(46-119)87(138)107-62(93(144)145)28-19-21-39-96)115-86(137)66(43-55-25-16-13-17-26-55)111-84(135)65(44-56-30-32-57(123)33-31-56)110-85(136)67(45-70(99)125)112-90(141)74(51(8)120)117-88(139)72(48(4)5)114-92(143)76(53(10)122)116-81(132)60(34-36-69(98)124)105-82(133)63(41-47(2)3)108-79(130)59(29-22-40-102-94(100)101)104-80(131)61(35-37-71(126)127)106-83(134)64(42-54-23-14-12-15-24-54)109-78(129)58(27-18-20-38-95)103-77(128)50(7)97/h12-17,23-26,30-33,47-53,58-68,72-76,119-123H,11,18-22,27-29,34-46,95-97H2,1-10H3,(H2,98,124)(H2,99,125)(H,103,128)(H,104,131)(H,105,133)(H,106,134)(H,107,138)(H,108,130)(H,109,129)(H,110,136)(H,111,135)(H,112,141)(H,113,142)(H,114,143)(H,115,137)(H,116,132)(H,117,139)(H,118,140)(H,126,127)(H,144,145)(H4,100,101,102)/t49-,50-,51+,52+,53+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,72-,73-,74-,75-,76-/m0/s1
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 5.55E+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