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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'integrin alpha-L' and Ligand = 'BDBM79613'   
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
integrin alpha-L


(Mus musculus)
BDBM79613
PNG
(3-(methoxymethyl)-N-(3-piperidin-1-ylsulfonylpheny...)
Show SMILES COCc1c(oc2ccccc12)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C22H24N2O5S/c1-28-15-19-18-10-3-4-11-20(18)29-21(19)22(25)23-16-8-7-9-17(14-16)30(26,27)24-12-5-2-6-13-24/h3-4,7-11,14H,2,5-6,12-13,15H2,1H3,(H,23,25)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.47E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2XW4H88
More data for this
Ligand-Target Pair