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1 similar compounds to monomer 50117073

Compile data set for download or QSAR
Wt: 535.3
BDBM50117064

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50117064   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50117064
PNG
((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(2-...)
Show SMILES CS(=O)(=O)c1ccccc1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O6S/c1-35(33,34)20-8-3-2-5-16(20)22(29)28-19(24(31)32)13-14-9-11-15(12-10-14)27-23(30)21-17(25)6-4-7-18(21)26/h2-12,19H,13H2,1H3,(H,27,30)(H,28,29)(H,31,32)/t19-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory binding concentration against VCAM/VLA-4 in Ramos.


Bioorg Med Chem Lett 12: 2479-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00387-6
BindingDB Entry DOI: 10.7270/Q2V989C5
More data for this
Ligand-Target Pair
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50117064
PNG
((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-(2-...)
Show SMILES CS(=O)(=O)c1ccccc1C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C24H20Cl2N2O6S/c1-35(33,34)20-8-3-2-5-16(20)22(29)28-19(24(31)32)13-14-9-11-15(12-10-14)27-23(30)21-17(25)6-4-7-18(21)26/h2-12,19H,13H2,1H3,(H,27,30)(H,28,29)(H,31,32)/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibitory binding concentration against VCAM/VLA-4 in ELISA.


Bioorg Med Chem Lett 12: 2479-82 (2002)


Article DOI: 10.1016/s0960-894x(02)00387-6
BindingDB Entry DOI: 10.7270/Q2V989C5
More data for this
Ligand-Target Pair