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BDBM50088887 5-[(S)-2-{1-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-2-(oxalyl-amino)-ethyl]-2-hydroxy-benzoic acid::CHEMBL366735

SMILES: NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(O)c(c1)C(O)=O)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12

InChI Key: InChIKey=FRQDXWPIDLBMJU-SVBPBHIXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50088887   
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
Grb2-SH2


(Homo sapiens (Human))
BDBM50088887
PNG
(5-[(S)-2-{1-[(S)-2-Carbamoyl-1-(3-naphthalen-1-yl-...)
Show SMILES NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@H](Cc1ccc(O)c(c1)C(O)=O)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12
Show InChI InChI=1S/C36H41N5O10/c37-29(43)20-27(30(44)38-17-7-11-23-10-6-9-22-8-2-3-12-24(22)23)40-35(51)36(15-4-1-5-16-36)41-31(45)26(39-32(46)34(49)50)19-21-13-14-28(42)25(18-21)33(47)48/h2-3,6,8-10,12-14,18,26-27,42H,1,4-5,7,11,15-17,19-20H2,(H2,37,43)(H,38,44)(H,39,46)(H,40,51)(H,41,45)(H,47,48)(H,49,50)/t26-,27-/m0/s1
PDB
MMDB

KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute-Bethesda

Curated by ChEMBL


Assay Description
Inhibition of Growth factor receptor bound protein 2 SH2 domain binding in ELISA


Bioorg Med Chem Lett 10: 923-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00124-4
BindingDB Entry DOI: 10.7270/Q2W0956V
More data for this
Ligand-Target Pair