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Compile Data Set for Download or QSAR

Found 2 hits from CNRS UMR 176   
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))
BDBM50300042
PNG
(4-[(2S)-2-{[(1S)-1-{[(1S)-1,2-dicarbamoylethyl]car...)
Show SMILES Cc1ccc(OC(C)(C)C(=O)N[C@@H](Cc2ccc(OP(O)(O)=O)cc2)C(=O)N[C@@](C)(Cc2ccc(OP(O)(O)=O)cc2)C(=O)N[C@@H](CC(N)=O)C(N)=O)c(c1)\N=N\c1ccccc1
Show InChI InChI=1S/C40H47N7O14P2/c1-24-10-19-33(30(20-24)47-46-27-8-6-5-7-9-27)59-39(2,3)37(51)44-32(21-25-11-15-28(16-12-25)60-62(53,54)55)36(50)45-40(4,38(52)43-31(35(42)49)22-34(41)48)23-26-13-17-29(18-14-26)61-63(56,57)58/h5-20,31-32H,21-23H2,1-4H3,(H2,41,48)(H2,42,49)(H,43,52)(H,44,51)(H,45,50)(H2,53,54,55)(H2,56,57,58)/b47-46+/t31-,32-,40-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



CNRS UMR 176

Curated by ChEMBL


Assay Description
Inhibition of Grb2 by ELISA


Eur J Med Chem 45: 244-55 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.003
BindingDB Entry DOI: 10.7270/Q21C1WZD
More data for this
Ligand-Target Pair
Grb2-SH2


(Homo sapiens (human))
BDBM50300043
PNG
(CHEMBL573405 | Sodium 2-(4-(2-(4-phosphonatooxyphe...)
Show SMILES NC(=O)CNc1nc(Nc2ccc(OP([O-])([O-])=O)cc2)nc(n1)-c1ccccc1Oc1ccc(OP([O-])([O-])=O)cc1
Show InChI InChI=1S/C23H22N6O10P2/c24-20(30)13-25-22-27-21(28-23(29-22)26-14-5-7-16(8-6-14)38-40(31,32)33)18-3-1-2-4-19(18)37-15-9-11-17(12-10-15)39-41(34,35)36/h1-12H,13H2,(H2,24,30)(H2,31,32,33)(H2,34,35,36)(H2,25,26,27,28,29)/p-4
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.65E+5n/an/an/an/an/an/a



CNRS UMR 176

Curated by ChEMBL


Assay Description
Displacement of biotin-Ahx-PSpYVNVQN peptide from GST fused Grb2 SH2 domain by ELISA


Eur J Med Chem 45: 244-55 (2010)


Article DOI: 10.1016/j.ejmech.2009.10.003
BindingDB Entry DOI: 10.7270/Q21C1WZD
More data for this
Ligand-Target Pair