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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 = 'BDBM479351'   
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)
BDBM479351
PNG
((3-((3S,4S)-4-amino-3-methyl- 2-oxa-8-azaspiro[4.5...)
Show SMILES COCOCOC[C@H]1C[C@H]2COc3c(Sc4cnc(N5CCC6(CO[C@@H](C)[C@H]6N)CC5)c(CO)n4)ccnc3N2C1 |r|
Show InChI InChI=1S/C28H40N6O6S/c1-18-25(29)28(15-40-18)4-7-33(8-5-28)26-21(12-35)32-23(10-31-26)41-22-3-6-30-27-24(22)39-14-20-9-19(11-34(20)27)13-37-17-38-16-36-2/h3,6,10,18-20,25,35H,4-5,7-9,11-17,29H2,1-2H3/t18-,19-,20-,25+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.90n/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