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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HLA-DR antigens-associated invariant chain' and Ligand = 'BDBM50182103'   
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
HLA-DR antigens-associated invariant chain


(Homo sapiens (Human))
BDBM50182103
PNG
(6-chloro-4-(1-(2-hydroxy-3-(5-(methylsulfonyl)-3-(...)
Show SMILES CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)N1C(=O)COc2ccc(Cl)cc12)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1/C30H33ClF3N5O5S/c1-45(42,43)37-13-10-25-24(17-37)29(19-2-4-20(5-3-19)30(32,33)34)35-38(25)16-23(40)15-36-11-8-22(9-12-36)39-26-14-21(31)6-7-27(26)44-18-28(39)41/h2-7,14,22-23,40H,8-13,15-18H2,1H3
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MHC2 invariant chain


Bioorg Med Chem Lett 16: 2209-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.038
BindingDB Entry DOI: 10.7270/Q2K35T7W
More data for this
Ligand-Target Pair