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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Alpha-1-acid glycoprotein 1' and Ligand = 'BDBM50111451'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1-acid glycoprotein 1


(Homo sapiens (Human))
BDBM50111451
PNG
(2-[2-(3,4,5-Trihydroxy-6-{[2-(1-phenyl-ethylcarbam...)
Show SMILES C[C@@H](NC(=O)c1ccccc1C(=O)NCC1OC(CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)C(O)C1O)c1ccccc1
Show InChI InChI=1S/C29H35N3O11/c1-15(16-7-3-2-4-8-16)31-28(40)18-10-6-5-9-17(18)27(39)30-14-21-25(37)26(38)24(36)20(43-21)13-22(33)32-19(29(41)42)11-12-23(34)35/h2-10,15,19-21,24-26,36-38H,11-14H2,1H3,(H,30,39)(H,31,40)(H,32,33)(H,34,35)(H,41,42)/t15-,19+,20?,21?,24?,25?,26?/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+6n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Ability to inhibit the binding of E-selectin to human recombinant AGP (alpha-1 acid glycoprotein) in a E-selectin assay


J Med Chem 45: 1563-6 (2002)


Article DOI: 10.1021/jm010390f
BindingDB Entry DOI: 10.7270/Q27W6CZ4
More data for this
Ligand-Target Pair