BDBM50004058 (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid::N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine::N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine::tirofiban

SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O

InChI Key InChIKey=COKMIXFXJJXBQG-NRFANRHFSA-N

Data  36 IC50  4 Kd  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 41 hits for monomerid = 50004058   

TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  2.40nMAssay Description:Inhibition of FITC-labeled fibrinogen binding to integrin alpha2bbeta3 receptor in human platelets by flow cytometryMore data for this Ligand-Target Pair
TargetIntegrin beta-3(Rattus norvegicus)
University Of Hawai'I At Hilo

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  136nMAssay Description:Inhibition of fibrinogen binding to rat platelet integrin alpha2b beta3 by ELISA based solid phase binding assayMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  2.40E+3nMAssay Description:Inhibition of fibrinogen binding to human alpha2b/beta3 integrin after 1 hr by ELISAMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  11nMAssay Description:The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP)More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataKd:  15nMAssay Description:Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometryMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  15nMAssay Description:Inhibition of human alphaIIb-beta3 integrin in platelet aggregation assayMore data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of binding to human Vitronectin receptor (integrin alphaV-beta3)More data for this Ligand-Target Pair
TargetIntegrin alpha-2/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  32nMAssay Description:Antagonist activity against integrin alpha2bbeta3 open form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregationMore data for this Ligand-Target Pair
TargetIntegrin alpha-2/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  32nMAssay Description:Antagonist activity against integrin alpha2bbeta3 closed form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregatio...More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of FITC-labelled fibrinogen binding to integrin alpha2b beta3 receptor in human platelet cellsMore data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50: >3.00E+5nMAssay Description:Inhibition of human umbilical vein endothelial cell adhesion to fibronectinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  2.60E+5nMAssay Description:Inhibition of human umbilical vein endothelial cell adhesion to fibrinogenMore data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  6.20E+4nMAssay Description:Inhibition of human umbilical vein endothelial cell adhesion to vitronectinMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  9nMAssay Description:Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light .More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  0.370nMAssay Description:Displacement of biotinylated fibrinogen from human alpha2b-beta3 receptor after 2 hrs by chemiluminescence assayMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  0.950nMAssay Description:Displacement of extracellular matrix protein fibrinogen from human integrin alpha2bbeta3 after 1 hr by competitive ELISAMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataEC50:  13.6nMAssay Description:Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometryMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  9nMAssay Description:Compound was evaluated for inhibition against Fibrinogen Receptor.More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  36nMAssay Description:Inhibition of platelet aggregationMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataKd:  13nMAssay Description:Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity...More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataKd:  1.90nMAssay Description:Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  15nMAssay Description:Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C.More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  0.370nMAssay Description:Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assayMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  0.950nMAssay Description:Inhibition of fibrinogen binding to Integrin alpha2bbeta3 receptor (unknown origin) by competitive ELISAMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataKd:  13nMAssay Description:Binding affinity against alpha IIb beta3 integrin in the presence of L-736622.More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  11nMAssay Description:In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.More data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  2.60E+5nMAssay Description:In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.More data for this Ligand-Target Pair
TargetIntegrin alpha-5/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50: >3.00E+5nMAssay Description:In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  1.00E+5nMAssay Description:In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  5nMAssay Description:In vitro inhibition of ADP-mediated human gel filtered platelet aggregation.More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  40nMAssay Description:Displacement of fibrinogen from human platelet GP2b/GP3a receptor after 2 hrs by ELISAMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  90nMAssay Description:Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1...More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  10nMAssay Description:Inhibition of ADP-mediated platelet aggregation in human gel-filtered plateletsMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  1.30nMAssay Description:Inhibition of human fibronectin binding to human Integrin alpha2b beta3 receptor incubated for 1 hr by ELISAMore data for this Ligand-Target Pair
TargetIntegrin alpha-V/beta-3(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  11nMAssay Description:Inhibition of human integrin alphavbeta3 (unknown origin)More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of fibrinogen binding to human platelet integrin alpha2b beta3 by ELISA based solid phase binding assayMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  1.20nMAssay Description:Binding affinity to human integrin alpha2bbeta3 incubated for 1 hr by ELISA based solid phase integrin binding assayMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  7.30nMAssay Description:Inhibition of fibrinogen binding to alpha2bbeta3 isolated from human HEL cells incubated for 1 hr by scintillation-proximity assay based competitive ...More data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  9.40nMAssay Description:Antagonist activity at alpha2bbeta3 in human HEL cells assessed as reduction in cell adhesion to fibrinogen pre-incubated for 30 mins before fibrinog...More data for this Ligand-Target Pair
TargetIntegrin beta-3(Rattus norvegicus)
University Of Hawai'I At Hilo

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  130nMAssay Description:Inhibition of fibrinogen binding to rat platelet integrin alpha2b beta3 by ELISA based solid phase binding assayMore data for this Ligand-Target Pair
TargetIntegrin alpha-IIb/beta-3(Homo sapiens (Human))
A.V. Bogatsky Physico-Chemical Institute Of The National Academy Of Sciences Of Ukraine

Curated by ChEMBL
LigandPNGBDBM50004058((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)
Affinity DataIC50:  600nMAssay Description:Binding affinity to alpha2b/beta3 integrin (unknown origin)More data for this Ligand-Target Pair