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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha4beta7' and Ligand = 'BDBM16825'   
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
Integrin alpha4beta7


(Homo sapiens (Human))
BDBM16825
PNG
((2S)-3-[4-(5-methoxy-2-methyl-3-oxo-2,3-dihydropyr...)
Show SMILES COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)CC(C)C)C(O)=O)cc1 |r|
Show InChI InChI=1S/C21H28N4O5/c1-13(2)12-24(3)21(29)23-16(20(27)28)10-14-6-8-15(9-7-14)18-17(30-5)11-22-25(4)19(18)26/h6-9,11,13,16H,10,12H2,1-5H3,(H,23,29)(H,27,28)/t16-/m0/s1
PDB

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 17n/an/an/an/an/a4



Johnson & Johnson Pharmaceutical



Assay Description
M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...


J Med Chem 49: 3402-11 (2006)


Article DOI: 10.1021/jm060031q
BindingDB Entry DOI: 10.7270/Q2Z60M9V
More data for this
Ligand-Target Pair