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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50372988   
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 alpha-4/beta-7


(Homo sapiens (Human))
BDBM50372988
PNG
(CHEMBL403587)
Show SMILES Cc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C22H19Cl2N3O4/c1-12-11-25-27(2)21(29)18(12)14-8-6-13(7-9-14)10-17(22(30)31)26-20(28)19-15(23)4-3-5-16(19)24/h3-9,11,17H,10H2,1-2H3,(H,26,28)(H,30,31)/t17-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 78n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-mediated K562 cell adhesion to immobilized MAdCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50372988
PNG
(CHEMBL403587)
Show SMILES Cc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C22H19Cl2N3O4/c1-12-11-25-27(2)21(29)18(12)14-8-6-13(7-9-14)10-17(22(30)31)26-20(28)19-15(23)4-3-5-16(19)24/h3-9,11,17H,10H2,1-2H3,(H,26,28)(H,30,31)/t17-/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-1-mediated Ramos cell adhesion to immobilized VCAM1


Bioorg Med Chem Lett 18: 1331-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.022
BindingDB Entry DOI: 10.7270/Q2TD9Z6W
More data for this
Ligand-Target Pair