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BDBM50241180 (6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hydroxy-1-imino-7,10,13-trioxo-2,8,11,14-tetraazahexadecane-15-carboxylic acid::(S)-3-[2-((S)-2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-((R)-1-carboxy-2-hydroxy-ethyl)-succinamic acid::(S)-3-[2-((S)-2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-((S)-1-carboxy-2-hydroxy-ethyl)-succinamic acid::2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butylcarboxamidomethylcarboxamido]-2-carboxy-(1S)-ethylcarboxamido]-3-hydroxy-(2S)-propanoic acid::2-{1-[1-amino-4-amino(imino)methylaminobutylcarboxamidomethylcarboxamido]-2-carboxyethylcarboxamido}-3-hydroxypropanoic acid::3-[(S)-2-((S)-2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-(1-carboxy-2-hydroxy-ethyl)-succinamic acid::3-[2-((S)-2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-((S)-1-carboxy-2-hydroxy-ethyl)-succinamic acid::3-[2-(2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-(1-carboxy-2-hydroxy-ethyl)-succinamic acid::3-[2-(2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-(1-carboxy-2-hydroxy-ethyl)-succinamic acid (RGDS)::CHEMBL265628::RGDS
SMILES: [#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](-[#8])=O
InChI Key: InChIKey=NNRFRJQMBSBXGO-CIUDSAMLSA-N
Data: 24 IC50
| 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)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30E+4 | 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 | |||||||||||||
| Integrin alpha-3/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30E+4 | 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 Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet assessed as reduction of ADP-induced platelet aggregation | Bioorg Med Chem Lett 20: 4444-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.051 BindingDB Entry DOI: 10.7270/Q2H134T5 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer Central Research Curated by ChEMBL | Assay Description Ability of the compound to inhibit the aggregation of fixed human platelets | J Med Chem 41: 2492-502 (1998) Article DOI: 10.1021/jm9801096 BindingDB Entry DOI: 10.7270/Q2057F28 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer Central Research Curated by ChEMBL | Assay Description Inhibition of HUVEC adhesion to fibrinogen-coated plates | J Med Chem 41: 2492-502 (1998) Article DOI: 10.1021/jm9801096 BindingDB Entry DOI: 10.7270/Q2057F28 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer Central Research Curated by ChEMBL | Assay Description Inhibition of HUVEC adhesion to fibrinogen-coated plates | J Med Chem 41: 2492-502 (1998) Article DOI: 10.1021/jm9801096 BindingDB Entry DOI: 10.7270/Q2057F28 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Rhône-Poulenc Rorer Central Research Curated by ChEMBL | Assay Description Inhibition of HUVEC adhesion to fibrinogen-coated plates | J Med Chem 41: 2492-502 (1998) Article DOI: 10.1021/jm9801096 BindingDB Entry DOI: 10.7270/Q2057F28 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Chemical Industries, Ltd. Curated by ChEMBL | Assay Description Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of guinea pig platelets by 50% in vitro | J Med Chem 41: 489-502 (1998) Article DOI: 10.1021/jm970235u BindingDB Entry DOI: 10.7270/Q2571B4W | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Chemical Industries, Ltd. Curated by ChEMBL | Assay Description Concentration required to inhibit adenosine diphosphate (ADP) induced aggregation of human platelets by 50% in vitro. | J Med Chem 41: 489-502 (1998) Article DOI: 10.1021/jm970235u BindingDB Entry DOI: 10.7270/Q2571B4W | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-2/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.30E+4 | 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 Displacement of FITC-labeled fibrinogen from alpha2beta3 in human platelets | Bioorg Med Chem Lett 21: 5971-4 (2011) Article DOI: 10.1016/j.bmcl.2011.07.063 BindingDB Entry DOI: 10.7270/Q26Q1XNS | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of 125I-fibrinogen binding to alpha IIb beta-3 integrin as inhibition of activated platelets | Bioorg Med Chem Lett 7: 955-960 (1997) Article DOI: 10.1016/S0960-894X(97)00083-8 BindingDB Entry DOI: 10.7270/Q2RR1ZRV | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of [125I]fibrinogen binding to human Fibrinogen Receptor. | J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of collagen-induced platelet aggregation | J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibition of arachidonic acid-induced platelet aggregation | J Med Chem 38: 34-41 (1995) BindingDB Entry DOI: 10.7270/Q29G5NG8 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Hamburg Curated by ChEMBL | Assay Description Inhibition of integrin alphaIIb-beta3 binding | J Med Chem 44: 3059-65 (2001) BindingDB Entry DOI: 10.7270/Q24T6K3S | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Vascular endothelial growth factor receptor 2 (KDR) | Bioorg Med Chem Lett 6: 81-86 (1996) Article DOI: 10.1016/0960-894X(95)00563-9 BindingDB Entry DOI: 10.7270/Q2445MGV | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of human platelet adhesion to fibrinogen | Bioorg Med Chem Lett 6: 1443-1448 (1996) Article DOI: 10.1016/S0960-894X(96)00246-6 BindingDB Entry DOI: 10.7270/Q2FT8MH4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of ADP-induced human platelet aggregation | Bioorg Med Chem Lett 6: 1443-1448 (1996) Article DOI: 10.1016/S0960-894X(96)00246-6 BindingDB Entry DOI: 10.7270/Q2FT8MH4 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.60E+4 | 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 | |||||||||||||
| ITGA5/ITGB1 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier I Curated by ChEMBL | Assay Description Inhibition of fibronectin (GST-3Fn8-11) binding to recombinant soluble mini integrin alpha5-beta1 | Bioorg Med Chem Lett 13: 1561-4 (2003) BindingDB Entry DOI: 10.7270/Q2BR8RK2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of fibrinogen binding to glycoprotein alpha IIb beta3 integrin of activated platelets | Bioorg Med Chem Lett 5: 475-480 (1995) Article DOI: 10.1016/0960-894X(95)00057-Z BindingDB Entry DOI: 10.7270/Q2N879RH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article | n/a | n/a | 2.60E+4 | 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 | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Antagonist activity at GP2b/3a receptor (unknown origin) assessed as inhibition of interaction with fibrinogen after 2 hrs by ELISA | Eur J Med Chem 102: 363-74 (2015) Article DOI: 10.1016/j.ejmech.2015.07.016 BindingDB Entry DOI: 10.7270/Q22J6FVM | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-3/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.10E+4 | 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 Antagonist activity at FITC-tagged alpha3beta3 integrin in human platelet rich plasma | Bioorg Med Chem Lett 20: 4444-6 (2010) Article DOI: 10.1016/j.bmcl.2010.06.051 BindingDB Entry DOI: 10.7270/Q2H134T5 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241180 ((6S,12S,15S)-1,6-diamino-12-(carboxymethyl)-16-hyd...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Chemical Industries, Ltd. Curated by ChEMBL | Assay Description Ability to inhibit binding of biotin-labeled human fibrinogen to immobilized fibrinogen receptor purified from human erythroleukemia(HEL) cells. | J Med Chem 41: 489-502 (1998) Article DOI: 10.1021/jm970235u BindingDB Entry DOI: 10.7270/Q2571B4W | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
