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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'SH2B adapter protein 2' and Ligand = 'BDBM479345'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
SH2B adapter protein 2


(Human)
BDBM479345
PNG
((3-((3S,4S)-4-amino-3-methyl-2-oxa-8- azaspiro[4.5...)
Show SMILES C[C@@H]1OCC2(CCN(CC2)c2ncc(Sc3ccnc4N5C[C@@H](COCC6COC6)C[C@H]5COc34)nc2CO)[C@@H]1N |r|
Show InChI InChI=1S/C29H40N6O5S/c1-18-26(30)29(17-40-18)3-6-34(7-4-29)27-22(11-36)33-24(9-32-27)41-23-2-5-31-28-25(23)39-16-21-8-19(10-35(21)28)12-37-13-20-14-38-15-20/h2,5,9,18-21,26,36H,3-4,6-8,10-17,30H2,1H3/t18-,19-,21-,26+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
The phosphatase reactions were carried out at room temperature in 384-well black polystyrene plates (Greiner Bio-One, Cat #784076) using assay buffer...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2VT1W7X
More data for this
Ligand-Target Pair