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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HLA class II histocompatibility antigen DRB1-1' and Ligand = 'BDBM50326701'   
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 class II histocompatibility antigen DRB1-1


(Homo sapiens (Human))
BDBM50326701
PNG
((S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-...)
Show SMILES CN(C)c1ccc2C(=O)N(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc34)C(O)=O)C(=O)c2c1 |r|
Show InChI InChI=1S/C28H25N3O6/c1-30(2)16-11-12-21-22(13-16)26(33)31(25(21)32)14-24(27(34)35)29-28(36)37-15-23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-13,23-24H,14-15H2,1-2H3,(H,29,36)(H,34,35)/t24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



University of Massachusetts Medical School

Curated by ChEMBL


Assay Description
Displacement of biotin-HA from recombinant soluble HLA-DR1 expressed in human T2 cells by ELISA


Nat Chem Biol 3: 222-8 (2007)


Article DOI: 10.1038/nchembio868
BindingDB Entry DOI: 10.7270/Q2HT2PJR
More data for this
Ligand-Target Pair