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SMILES: CC(C)C[C@H](NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(N)=O

InChI Key: InChIKey=REWHONSUJOGBSP-WVTNLIGWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50525091   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Eukaryotic translation initiation factor 4E


(Homo sapiens (Human))		BDBM50525091
PNG
(CHEMBL4447089)
Show SMILES CC(C)C[C@H](NC(=O)[C@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1)C(N)=O |r,c:13|
Show InChI InChI=1S/C75H130N22O16/c1-43(2)38-54(60(79)102)95-71(113)75(9)33-17-13-11-10-12-16-32-74(8,70(112)94-53(30-31-59(78)101)64(106)90-55(39-44(3)4)65(107)91-56(40-45(5)6)69(111)97-75)96-68(110)52(25-21-37-85-73(82)83)89-67(109)58(42-98)93-66(108)57(41-47-26-28-48(100)29-27-47)92-63(105)51(24-20-36-84-72(80)81)88-62(104)50(23-15-19-35-77)87-61(103)49(86-46(7)99)22-14-18-34-76/h10-11,26-29,43-45,49-58,98,100H,12-25,30-42,76-77H2,1-9H3,(H2,78,101)(H2,79,102)(H,86,99)(H,87,103)(H,88,104)(H,89,109)(H,90,106)(H,91,107)(H,92,105)(H,93,108)(H,94,112)(H,95,113)(H,96,110)(H,97,111)(H4,80,81,84)(H4,82,83,85)/b11-10-/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,74-,75-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.20n/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal 10His-tagged m7GDP-bound recombinant human eIF4E expressed in Escherichia coli BL21 (DE3) cells assessed as dissociati...

J Med Chem 62: 4967-4978 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00068
More data for this
Ligand-Target Pair