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BDBM50157474 3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,2-dimethyl-propionyl)-isobutyl-amino]-5-trifluoromethyl-phenyl}-propionic acid::CHEMBL181054

SMILES: CC(C)CN(C(=O)C(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O

InChI Key: InChIKey=PMMFHKXXIHYTBL-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50157474   
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))
BDBM50157474
PNG
(3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{3-[(2,...)
Show SMILES CC(C)CN(C(=O)C(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O
Show InChI InChI=1/C32H33Cl2F3N2O4/c1-18(2)17-39(30(43)31(3,4)5)23-15-20(14-21(16-23)32(35,36)37)24(29(41)42)13-19-9-11-22(12-10-19)38-28(40)27-25(33)7-6-8-26(27)34/h6-12,14-16,18,24H,13,17H2,1-5H3,(H,38,40)(H,41,42)
PDB

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Article
PubMed
n/an/a 23n/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