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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Lymphocyte antigen 96' and Ligand = 'BDBM50384998'   
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
Lymphocyte antigen 96


(Homo sapiens (Human))
BDBM50384998
PNG
(XANTHOHUMOL)
Show SMILES [#6]-[#8]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c1-[#6](=O)\[#6]=[#6]\c1ccc(-[#8])cc1
Show InChI InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 4.60E+5n/an/an/an/an/a



Wenzhou Medical University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human MD2 (17 to 160 residues) expressed in Escherichia coli BL21(DE3) cells by surface plasmon resonance analysis


J Med Chem 59: 2436-51 (2016)

More data for this
Ligand-Target Pair