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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G protein-coupled receptor kinase 5' and Ligand = 'BDBM50191311'   
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
G protein-coupled receptor kinase 5


(Homo sapiens (Human))		BDBM50191311
PNG
(CHEMBL3950887)
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](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1S/C93H143N23O29/c1-11-47(6)72(88(140)116-74(50(9)119)90(142)111-66(44-117)86(138)105-60(92(144)145)33-36-70(126)127)113-85(137)64(41-53-23-16-13-17-24-53)109-83(135)63(42-54-27-29-55(121)30-28-54)108-84(136)65(43-68(97)123)110-89(141)73(49(8)118)115-87(139)71(46(4)5)112-91(143)75(51(10)120)114-80(132)58(31-34-67(96)122)103-81(133)61(39-45(2)3)106-78(130)57(26-20-38-100-93(98)99)102-79(131)59(32-35-69(124)125)104-82(134)62(40-52-21-14-12-15-22-52)107-77(129)56(25-18-19-37-94)101-76(128)48(7)95/h12-17,21-24,27-30,45-51,56-66,71-75,117-121H,11,18-20,25-26,31-44,94-95H2,1-10H3,(H2,96,122)(H2,97,123)(H,101,128)(H,102,131)(H,103,133)(H,104,134)(H,105,138)(H,106,130)(H,107,129)(H,108,136)(H,109,135)(H,110,141)(H,111,142)(H,112,143)(H,113,137)(H,114,132)(H,115,139)(H,116,140)(H,124,125)(H,126,127)(H,144,145)(H4,98,99,100)/t47-,48-,49+,50+,51+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-,72-,73-,74-,75-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Messina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GRK5 expressed in Sf9 insect cells assessed as decrease in phosphorylation of urea-washed bovine rod outer segments i...

J Med Chem 59: 9277-9294 (2016)


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