BDBM50177621 (S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomorpholinopyridin-2-ylamino)butyl)-1,2,4-oxadiazol-5-yl)butanoic acid::CHEMBL434191

SMILES OC(=O)C[C@H](Cc1nc(CCCCNc2cc(ccn2)N2CCSCC2)no1)c1ccc2OCOc2c1

InChI Key InChIKey=GTSHXMCHGDUGRQ-UHFFFAOYSA-N

Data  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50177621   

TargetIntegrin alpha-V/beta-3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50177621((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)
Affinity DataIC50: 0.620nMAssay Description:Inhibition of Integrin alphav-beta3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-5(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50177621((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of Integrin alphav-beta5 receptor expressed in HEK293 cell lineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-IIb/beta-3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50177621((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)
Affinity DataIC50: 22nMAssay Description:Inhibition of Integrin alpha-2b-beta-3 receptor by SPRA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-3(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50177621((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)
Affinity DataIC50: 0.260nMAssay Description:Inhibition of Integrin alphav-beta3 receptor by SPRA assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-V/beta-6(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50177621((S)-3-(benzo[d][1,3]dioxol-5-yl)-4-(3-(4-(4-thiomo...)
Affinity DataIC50: 2.67E+3nMAssay Description:Inhibition of Integrin alphav-beta6 receptor expressed in HT29 cell lineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed