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BDBM50525087 CHEMBL4577429

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CNC(C)=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O

InChI Key: InChIKey=YFVARPBUZODTDL-OYPIPQMDSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50525087   
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))		BDBM50525087
PNG
(CHEMBL4577429)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CNC(C)=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCC\C=C/CCC[C@](C)(NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(N)=O |r,c:79|
Show InChI InChI=1S/C92H149N27O22S2/c1-12-50(5)70(117-84(138)71(51(6)13-2)116-75(129)58(29-24-39-102-89(97)98)108-85(139)72(52(7)120)115-68(124)47-104-53(8)121)83(137)112-63(44-55-31-33-56(122)34-32-55)77(131)111-65(46-69(125)126)79(133)106-59(30-25-40-103-90(99)100)81(135)118-91(9)36-21-16-14-15-17-22-37-92(10,87(141)114-66(48-142)80(134)105-57(28-23-38-101-88(95)96)74(128)109-61(73(94)127)45-67(93)123)119-82(136)60(35-41-143-11)107-76(130)62(42-49(3)4)110-78(132)64(113-86(91)140)43-54-26-19-18-20-27-54/h14-15,18-20,26-27,31-34,49-52,57-66,70-72,120,122,142H,12-13,16-17,21-25,28-30,35-48H2,1-11H3,(H2,93,123)(H2,94,127)(H,104,121)(H,105,134)(H,106,133)(H,107,130)(H,108,139)(H,109,128)(H,110,132)(H,111,131)(H,112,137)(H,113,140)(H,114,141)(H,115,124)(H,116,129)(H,117,138)(H,118,135)(H,119,136)(H,125,126)(H4,95,96,101)(H4,97,98,102)(H4,99,100,103)/b15-14-/t50-,51-,52+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,70-,71-,72-,91-,92-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 5.30n/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