Compile Data Set for Download or QSAR
Found 23 Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50235980'
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataKi:  1nMAssay Description:Binding affinity to human integrin alphaVbeta3 receptor using acetyl-CisoDGRCGVRSSSRTPSDKY-bio probe and streptavidin-peroxidase conjugate incubated ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SJ1P55PubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.400nMAssay Description:Binding affinity to integrin alphav/beta3 heterodimer in human M21 cells assessed as inhibition of integrin-mediated human M21 cell adhesion to vitro...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KD20S3PubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.510nMAssay Description:Binding affinity to soluble truncated human recombinant Fc-tagged alphaVbeta3 and integrins were expressed in HEK293T cells after 2 hrs by competitio...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27M09D3PubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.540nMAssay Description:Inhibition of vitronectin binding to human alphavbeta3 integrin receptor after 1 hr by competitive solid-phase binding ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q25T3N1WPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.540nMAssay Description:Inhibition of vitronectin binding to recombinant human integrin alphaV (Phe31 to Val992 residues) beta3 (Gly27 to Asp718 residues) expressed in CHO c...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RJ4P16PubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.540nMAssay Description:Inhibition of vitronectin binding to human alphaVbeta3 integrin after 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22J6FCBPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.540nMAssay Description:Inhibition of human vitronectin binding to human integrin alphavbeta3 receptor after 1 hr by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JQ14D7PubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.540nMAssay Description:Binding affinity to human integrin alphaVbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FX7F74PubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.540nMAssay Description:Inhibition of vitronectin binding to Integrin alphaVbeta3 receptor (unknown origin) by competitive ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2FJ2J4BPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.580nMAssay Description:Displacement of biotinylated ECM from human placental integrin alphavbeta3 receptor incubated for 3 hrsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2KP854PPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.600nMAssay Description:Inhibition of integrin alphaVbeta3More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21R6QPFPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.650nMAssay Description:Antagonist activity at alphavbeta3 integrin receptor (unknown origin) by cell-free ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NS0XW8PubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 0.860nMAssay Description:Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21J9BKMPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 18.9nMAssay Description:Displacement of [125I]echistatin from human placental integrin alphaVbeta3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2T72J9WPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 18.9nMAssay Description:Displacement of [125I]echistatin from human integrin alpha-V-beta-3 receptor by solid phase assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29K4C3PPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 18.9nMAssay Description:Displacement of [125I]echistatin from AlphaVbeta3 integrin receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G160FDPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 18.9nMAssay Description:Displacement of [125I]-echistatin from alphavbeta3 integrin receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GX4CBTPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 110nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XS60C4PubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 200nMAssay Description:Inhibition of vitronectin binding to human alphaVbeta3 integrin after 2 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29W0H3XPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 220nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2XS60C4PubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 230nMAssay Description:Binding affinity to alphaVbeta3 integrin in human SKOV3 cells assessed as inhibition of cell adhesion to fibrinogen measured after 2 hrs by MTT assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TX3JVBPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 900nMAssay Description:Binding affinity to alphaVbeta3 integrin (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q29W0H3XPubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
IRCCS Ospedale San Raffaele

Curated by ChEMBL
LigandPNGBDBM50235980(2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HD80R9PubMed