BDBM17909 4-{[(2S,4S)-1-[2-(3-chloro-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetyl]-4-fluoropyrrolidin-2-yl]methoxy}benzoic acid::CHEMBL425647::benzoic acid derivative, 12l

SMILES Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)cc1Cl

InChI Key InChIKey=WIBDJDYXWICGSX-SFTDATJTSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 17909   

TargetIntegrin alpha-4/beta-1 [T112H](Homo sapiens (Human))
Daiichi Pharmaceutical

LigandPNGBDBM17909(4-{[(2S,4S)-1-[2-(3-chloro-4-{[(2-methylphenyl)car...)
Affinity DataIC50:  0.510nMpH: 7.5 T: 2°CAssay Description:The 4B4 cells expressing VLA-4 were distributed into each well of a 96-well culture plate for 2 days. Compound and Eu-labeled Human VCAM-1/Fc Chimera...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Daiichi Sankyo

Curated by ChEMBL
LigandPNGBDBM17909(4-{[(2S,4S)-1-[2-(3-chloro-4-{[(2-methylphenyl)car...)
Affinity DataIC50:  0.510nMAssay Description:Inhibition of europium labeled human VCAM1/Fc chimera binding to human VLA-4 alpha-4-beta-1 expressed in Chinese hamster 4B4 cells by fluorimetric as...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4(Homo sapiens (Human))
Daiichi Sankyo

Curated by ChEMBL
LigandPNGBDBM17909(4-{[(2S,4S)-1-[2-(3-chloro-4-{[(2-methylphenyl)car...)
Affinity DataIC50:  7.20nMAssay Description:Displacement of europium labeled human VCAM1 from human VLA4 expressed in 4B4 cells in presence of human serum albuminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4(Homo sapiens (Human))
Daiichi Sankyo

Curated by ChEMBL
LigandPNGBDBM17909(4-{[(2S,4S)-1-[2-(3-chloro-4-{[(2-methylphenyl)car...)
Affinity DataIC50:  0.510nMAssay Description:Displacement of europium labeled human VCAM1 from human VLA4 expressed in 4B4 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed