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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'TSC22 domain family protein 3' and Ligand = 'BDBM476591'   
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
TSC22 domain family protein 3


(Human)
BDBM476591
PNG
(US10869929, Compound 30 | US11554172, Compound 30)
Show SMILES CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6c(C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO)cnn6-c1ccc(OCCCCP(O)(O)=O)cc1 |r,t:11|
Show InChI InChI=1S/C36H49N2O9P/c1-4-7-32-46-31-17-27-26-13-8-23-16-28-22(18-34(23,2)33(26)29(40)19-35(27,3)36(31,47-32)30(41)21-39)20-37-38(28)24-9-11-25(12-10-24)45-14-5-6-15-48(42,43)44/h9-12,16,20,26-27,29,31-33,39-40H,4-8,13-15,17-19,21H2,1-3H3,(H2,42,43,44)/t26-,27-,29-,31+,32?,33+,34-,35-,36+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
HUT78 cells were cultured in IMEM plus 20% heat inactivated FBS and cell density was maintained between 0.1 to 1.2 million/mL. 786-O cells were cultu...


US Patent US10869929 (2020)


BindingDB Entry DOI: 10.7270/Q2N58QG7
More data for this
Ligand-Target Pair