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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Grb2-SH2' and Ligand = 'BDBM50264469'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Grb2-SH2


(Homo sapiens (Human))
BDBM50264469
PNG
(CHEMBL499251 | N-Fmoc-(R)-(alpha-Me)Adi-Leu-(3'-NH...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@](C)(CCCC(O)=O)NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)c(N)c1)C(=O)NC1(CCCCC1)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C48H62N8O11/c1-27(2)22-36(54-44(64)47(3,19-11-16-40(59)60)56-46(66)67-26-33-31-14-7-5-12-29(31)30-13-6-8-15-32(30)33)42(62)52-37(24-28-17-18-38(57)34(49)23-28)43(63)55-48(20-9-4-10-21-48)45(65)53-35(41(51)61)25-39(50)58/h5-8,12-15,17-18,23,27,33,35-37,57H,4,9-11,16,19-22,24-26,49H2,1-3H3,(H2,50,58)(H2,51,61)(H,52,62)(H,53,65)(H,54,64)(H,55,63)(H,56,66)(H,59,60)/t35-,36-,37-,47+/m0/s1
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Similars

Article
PubMed
n/an/a 7.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to recombinant Grb2 SH2 domain by surface plasmon resonance analysis


J Med Chem 51: 6371-80 (2008)


Article DOI: 10.1021/jm800487r
BindingDB Entry DOI: 10.7270/Q2XG9S2N
More data for this
Ligand-Target Pair