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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50374930   
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))
BDBM50374930
PNG
(CHEMBL257458)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H17N3O3/c29-23-20(14-17-15-26-21-12-6-4-10-18(17)21)24(30)28(25(31)27-23)22-13-7-5-11-19(22)16-8-2-1-3-9-16/h1-15,26H,(H,27,29,31)/b20-14-
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human integrin alpha-4-beta-7-MAdCAM interaction in human RPMI 8866 cells by whole-cell adhesion assay


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin alpha-5/beta-1


(Homo sapiens (Human))
BDBM50374930
PNG
(CHEMBL257458)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H17N3O3/c29-23-20(14-17-15-26-21-12-6-4-10-18(17)21)24(30)28(25(31)27-23)22-13-7-5-11-19(22)16-8-2-1-3-9-16/h1-15,26H,(H,27,29,31)/b20-14-
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-5-beta-1-fibronectin interaction


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair
Integrin alpha-4/beta-1


(Homo sapiens (Human))
BDBM50374930
PNG
(CHEMBL257458)
Show SMILES O=C1NC(=O)\C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H17N3O3/c29-23-20(14-17-15-26-21-12-6-4-10-18(17)21)24(30)28(25(31)27-23)22-13-7-5-11-19(22)16-8-2-1-3-9-16/h1-15,26H,(H,27,29,31)/b20-14-
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Millennium Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of integrin alpha-4-beta-1-VCAM interaction


Bioorg Med Chem Lett 18: 2509-12 (2008)


Article DOI: 10.1016/j.bmcl.2007.07.068
BindingDB Entry DOI: 10.7270/Q2N58N8Q
More data for this
Ligand-Target Pair