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BDBM50157454 3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(furan-2-carbonyl)-isobutyl-amino]-phenyl}-propionic acid::CHEMBL361832

SMILES: CC(C)CN(C(=O)c1ccco1)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O

InChI Key: InChIKey=XRIUFTLBHXBFKJ-UHFFFAOYNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50157454   
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))
BDBM50157454
PNG
(3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(fu...)
Show SMILES CC(C)CN(C(=O)c1ccco1)c1cccc(c1)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O
Show InChI InChI=1/C31H28Cl2N2O5/c1-19(2)18-35(30(37)27-10-5-15-40-27)23-7-3-6-21(17-23)24(31(38)39)16-20-11-13-22(14-12-20)34-29(36)28-25(32)8-4-9-26(28)33/h3-15,17,19,24H,16,18H2,1-2H3,(H,34,36)(H,38,39)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...


Bioorg Med Chem Lett 15: 217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.089
BindingDB Entry DOI: 10.7270/Q27945Z1
More data for this
Ligand-Target Pair