BDBM50209457 (3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-hydroxy-5-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamido)acetamido)propanoic acid::CHEMBL244013

SMILES [#8]-[#6]-1-[#6]-[#7]\[#6](-[#7]-[#6]-1)=[#7]\c1cc(-[#8])cc(c1)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-c1cc(Cl)cc(Br)c1-[#8]

InChI Key InChIKey=XROUNTCRSNMMAO-KRWDZBQOSA-N

Data  8 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 8 hits for monomerid = 50209457   

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

Curated by ChEMBL
LigandPNGBDBM50209457((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Affinity DataIC50:  2.60nMAssay Description:Inhibition of alphaVbeta3 integrin receptor expressed in human 293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-5/alpha-V(Homo sapiens (Human))
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50209457((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Affinity DataIC50:  18nMAssay Description:Antagonist activity at alphavbeta5 integrin receptor in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-6(Homo sapiens (Human))
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50209457((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Affinity DataIC50:  12nMAssay Description:Antagonist activity at alphavbeta6 integrin receptor in human HT29 cells after 4 hrs using p-nitrophenyl phosphate by colorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50209457((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Affinity DataIC50:  316nMAssay Description:Antagonist activity at alpha5beta1 integrin receptor in K562 cells after 4 hrs using p-nitrophenyl phosphate by colorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50209457((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Affinity DataIC50:  257nMAssay Description:Antagonist activity at alpha2bbeta3 integrin receptor (unknown origin) by cell-free ELISAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-1(Homo sapiens (Human))
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50209457((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Affinity DataIC50:  10nMAssay Description:Antagonist activity at alphavbeta1 integrin receptor in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Pfizer

Curated by ChEMBL
LigandPNGBDBM50209457((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Affinity DataIC50:  1.60nMAssay Description:Antagonist activity at alphavbeta3 integrin receptor in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-8(Homo sapiens (Human))
University Of Bradford

Curated by ChEMBL
LigandPNGBDBM50209457((3S)-3-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-(3-...)
Affinity DataIC50:  1.70nMAssay Description:Antagonist activity at human recombinant alphavbeta8 integrin receptor expressed in HEK293 cells after 4 hrs using p-nitrophenyl phosphate by colorim...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed