BDBM50108219 (5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-5-carboxymethyl-4,7,15-trioxo-tetradecahydro-10,11-dithia-3a,6,14-triaza-cyclopentacyclotetradecene-13-carboxylic acid::(5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-5-carboxymethyl-4,7,15-trioxo-tetradecahydro-10,11-dithia-3a,6,14-triaza-cyclopentacyclotetradecene-13-carboxylic acid::CHEMBL2372105

SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC2=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O

InChI Key InChIKey=IXDDZIVBYAEUTN-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50108219   

TargetIntegrin alpha-4/beta-1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50108219((5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy...)
Affinity DataIC50: 300nMAssay Description:Inhibition of fluorescently labeled alpha4-beta1 positive Ramos cells binding to immobilized VCAM-1.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50108219((5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy...)
Affinity DataIC50: 3nMAssay Description:Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50108219((5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy...)
Affinity DataIC50: 2nMAssay Description:Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-7(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50108219((5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy...)
Affinity DataIC50: 10nMAssay Description:Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50108219((5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy...)
Affinity DataIC50: 2nMAssay Description:Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50108219((5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy...)
Affinity DataIC50: 200nMAssay Description:Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in Ramos cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed