Found 36 hits for monomerid = 50004058 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine
Curated by ChEMBL
| Assay Description Inhibition of FITC-labeled fibrinogen binding to integrin alpha2bbeta3 receptor in human platelets by flow cytometry |
Bioorg Med Chem 21: 4646-61 (2013)
Article DOI: 10.1016/j.bmc.2013.05.019 BindingDB Entry DOI: 10.7270/Q2Q81FGX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Division of Organic Chemistry CSIR-National Chemical Laboratory (NCL)
Curated by ChEMBL
| Assay Description Inhibition of fibrinogen binding to human platelet integrin alpha2b beta3 by ELISA based solid phase binding assay |
Bioorg Med Chem Lett 30: (2020)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps-Universit£t Marburg
Curated by ChEMBL
| Assay Description Inhibition of fibrinogen binding to human alpha2b/beta3 integrin after 1 hr by ELISA |
J Med Chem 57: 5829-34 (2014)
Article DOI: 10.1021/jm5004478 BindingDB Entry DOI: 10.7270/Q29W0H3X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description The compound was tested in vivo for the inhibition of aggregation of human gel-filtered platelets(GFP) |
J Med Chem 42: 2409-21 (1999)
Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Equilibrium dissociation constant was measured from displacement of L-762,745 from Fibrinogen receptor of human platelets by flow cytometry |
J Med Chem 42: 2409-21 (1999)
Article DOI: 10.1021/jm980722p BindingDB Entry DOI: 10.7270/Q2HH6J8X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human alphaIIb-beta3 integrin in platelet aggregation assay |
J Med Chem 46: 5316-25 (2003)
Article DOI: 10.1021/jm030146j BindingDB Entry DOI: 10.7270/Q23R0S9P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
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| PDB Article PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of binding to human Vitronectin receptor (integrin alphaV-beta3) |
J Med Chem 46: 5316-25 (2003)
Article DOI: 10.1021/jm030146j BindingDB Entry DOI: 10.7270/Q23R0S9P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-2/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| PDB PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
A.V. Bogatsky Physico-Chemical Institute of National Academy of Sciences of Ukraine
Curated by ChEMBL
| Assay Description Antagonist activity against integrin alpha2bbeta3 open form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation |
J Med Chem 58: 7681-94 (2015)
BindingDB Entry DOI: 10.7270/Q2QN68MB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-2/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| PDB PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
A.V. Bogatsky Physico-Chemical Institute of National Academy of Sciences of Ukraine
Curated by ChEMBL
| Assay Description Antagonist activity against integrin alpha2bbeta3 closed form in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregatio... |
J Med Chem 58: 7681-94 (2015)
BindingDB Entry DOI: 10.7270/Q2QN68MB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine
Curated by ChEMBL
| Assay Description Inhibition of FITC-labelled fibrinogen binding to integrin alpha2b beta3 receptor in human platelet cells |
Bioorg Med Chem Lett 26: 1839-43 (2016)
BindingDB Entry DOI: 10.7270/Q2NV9M57 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ITGA5/ITGB1
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human umbilical vein endothelial cell adhesion to fibronectin |
J Med Chem 37: 2537-51 (1994)
BindingDB Entry DOI: 10.7270/Q2N878VF |
More data for this Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| PDB PubMed
| n/a | n/a | 2.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human umbilical vein endothelial cell adhesion to fibrinogen |
J Med Chem 37: 2537-51 (1994)
BindingDB Entry DOI: 10.7270/Q2N878VF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| PDB PubMed
| n/a | n/a | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human umbilical vein endothelial cell adhesion to vitronectin |
J Med Chem 37: 2537-51 (1994)
BindingDB Entry DOI: 10.7270/Q2N878VF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of platelet aggregation as the concentration necessary to inhibit the change in light . |
J Med Chem 37: 2537-51 (1994)
BindingDB Entry DOI: 10.7270/Q2N878VF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Displacement of biotinylated fibrinogen from human alpha2b-beta3 receptor after 2 hrs by chemiluminescence assay |
Eur J Med Chem 50: 255-63 (2012)
Article DOI: 10.1016/j.ejmech.2012.01.059 BindingDB Entry DOI: 10.7270/Q2KK9C7V |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description Displacement of extracellular matrix protein fibrinogen from human integrin alpha2bbeta3 after 1 hr by competitive ELISA |
J Med Chem 55: 871-82 (2012)
Article DOI: 10.1021/jm2013826 BindingDB Entry DOI: 10.7270/Q2MC90H4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | n/a | n/a | 13.6 | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description Inhibition of integrin alpha2bbeta3-mediated platelet aggregation in human TRAP-6-activated whole blood for 6 mins by impedence-based aggregometry |
J Med Chem 55: 871-82 (2012)
Article DOI: 10.1021/jm2013826 BindingDB Entry DOI: 10.7270/Q2MC90H4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
3-Dimensional Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Compound was evaluated for inhibition against Fibrinogen Receptor. |
J Med Chem 41: 2068-75 (1998)
Article DOI: 10.1021/jm970796l BindingDB Entry DOI: 10.7270/Q269748G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc.
Curated by ChEMBL
| Assay Description Inhibition of platelet aggregation |
J Med Chem 43: 3453-73 (2000)
BindingDB Entry DOI: 10.7270/Q2ZS2X79 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Competition with [1251]L-692,884 for binding to purified alpha IIb/beta3 integrin, activated by coating onto yttrium silicate scintillation proximity... |
Bioorg Med Chem Lett 10: 1943-8 (2001)
BindingDB Entry DOI: 10.7270/Q2GB2380 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C. |
Bioorg Med Chem Lett 10: 1943-8 (2001)
BindingDB Entry DOI: 10.7270/Q2GB2380 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of aggregation of human gel-filtered platelets measured by light transmittance method at 37 degrees C. |
Bioorg Med Chem Lett 10: 1943-8 (2001)
BindingDB Entry DOI: 10.7270/Q2GB2380 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Displacement of biotinylated fibrinogen from human glycoprotein 2b/3a receptor after 2 hrs by chemiluminescence assay |
Eur J Med Chem 64: 302-13 (2013)
Article DOI: 10.1016/j.ejmech.2013.03.056 BindingDB Entry DOI: 10.7270/Q2Q241N8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t M£nchen
Curated by ChEMBL
| Assay Description Inhibition of fibrinogen binding to Integrin alpha2bbeta3 receptor (unknown origin) by competitive ELISA |
J Med Chem 56: 1509-19 (2013)
Article DOI: 10.1021/jm301221x BindingDB Entry DOI: 10.7270/Q2FJ2J4B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article
| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity against alpha IIb beta3 integrin in the presence of L-736622. |
Bioorg Med Chem Lett 6: 2519-2524 (1996)
Article DOI: 10.1016/0960-894X(96)00473-8 BindingDB Entry DOI: 10.7270/Q2SB45Q6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro inhibition of ADP-mediated human gel filtered platelet aggregation. |
J Med Chem 35: 4640-2 (1993)
BindingDB Entry DOI: 10.7270/Q2SF2V44 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar AffyNet
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| PDB PubMed
| n/a | n/a | 2.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro inhibition of ADP-mediated human gel filtered platelet aggregation. |
J Med Chem 35: 4640-2 (1993)
BindingDB Entry DOI: 10.7270/Q2SF2V44 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ITGA5/ITGB1
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| PubMed
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro inhibition of ADP-mediated human gel filtered platelet aggregation. |
J Med Chem 35: 4640-2 (1993)
BindingDB Entry DOI: 10.7270/Q2SF2V44 |
More data for this Ligand-Target Pair | |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| PDB PubMed
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro inhibition of ADP-mediated human gel filtered platelet aggregation. |
J Med Chem 35: 4640-2 (1993)
BindingDB Entry DOI: 10.7270/Q2SF2V44 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro inhibition of ADP-mediated human gel filtered platelet aggregation. |
J Med Chem 35: 4640-2 (1993)
BindingDB Entry DOI: 10.7270/Q2SF2V44 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Displacement of fibrinogen from human platelet GP2b/GP3a receptor after 2 hrs by ELISA |
Eur J Med Chem 125: 197-209 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.032 BindingDB Entry DOI: 10.7270/Q2028TH0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Antagonist activity at GP2b/GP3a receptor in human platelet rich plasma assessed as inhibition of ADP-induced platelet aggregation preincubated for 1... |
Eur J Med Chem 125: 197-209 (2017)
Article DOI: 10.1016/j.ejmech.2016.09.032 BindingDB Entry DOI: 10.7270/Q2028TH0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of ADP-mediated platelet aggregation in human gel-filtered platelets |
Bioorg Med Chem Lett 4: 1835-1840 (1994)
Article DOI: 10.1016/S0960-894X(01)80380-2 BindingDB Entry DOI: 10.7270/Q2F76DVH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| DrugBank PDB Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bielefeld University
Curated by ChEMBL
| Assay Description Inhibition of human fibronectin binding to human Integrin alpha2b beta3 receptor incubated for 1 hr by ELISA |
J Med Chem 62: 7417-7430 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00360 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ITGAV/ITGB3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pliant Therapeutics
Curated by ChEMBL
| Assay Description Inhibition of human integrin alphavbeta3 (unknown origin) |
J Med Chem 63: 5675-5696 (2020)
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Integrin alpha-IIb/beta-3
(Homo sapiens (Human)) | BDBM50004058
((2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-yl...)Show SMILES CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(O)=O Show InChI InChI=1S/C22H36N2O5S/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26)/t21-/m0/s1 | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps-Universit£t Marburg
Curated by ChEMBL
| Assay Description Binding affinity to alpha2b/beta3 integrin (unknown origin) |
J Med Chem 57: 5829-34 (2014)
Article DOI: 10.1021/jm5004478 BindingDB Entry DOI: 10.7270/Q29W0H3X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |