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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Integrin alpha-IIb/beta-3 | ||
| Ligand | BDBM50062786 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_77355 (CHEMBL839844) | ||
| IC50 | >1000000±n/a nM | ||
| Citation |  Sugihara, H; Fukushi, H; Miyawaki, T; Imai, Y; Terashita, Z; Kawamura, M; Fujisawa, Y; Kita, S Novel non-peptide fibrinogen receptor antagonists. 1. Synthesis and glycoprotein IIb-IIIa antagonistic activities of 1,3,4-trisubstituted 2-oxopiperazine derivatives incorporating side-chain functions of the RGDF peptide. J Med Chem41:489-502 (1998) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Integrin alpha-IIb/beta-3 | |||
| Name: | Integrin alpha-IIb/beta-3 | ||
| Synonyms: | Glycoprotein IIb/IIIa | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of EBI is 30109 | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Integrin beta-3 | ||
| Synonyms: | CD_antigen=CD61 | GP3A | GPIIIa | ITB3_HUMAN | ITGB3 | Integrin alpha-V/beta-3/alpha-V/beta-5 | Platelet membrane glycoprotein IIIa | ||
| Type: | Protein | ||
| Mol. Mass.: | 87038.91 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P05106 | ||
| Residue: | 788 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | Integrin alpha-IIb | ||
| Synonyms: | CD_antigen=CD41 | GP2B | GPIIb | GPalpha IIb | Glycoprotein IIb | ITA2B_HUMAN | ITGA2B | ITGAB | Integrin alpha-IIb heavy chain | Integrin alpha-IIb light chain, form 1 | Integrin alpha-IIb light chain, form 2 | Integrin alpha-IIb/beta-3 | Integrin alpha-V/beta-3 and alpha-IIb/beta 3 | Platelet membrane glycoprotein IIb | ||
| Type: | Protein | ||
| Mol. Mass.: | 113354.85 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P08514 | ||
| Residue: | 1039 | ||
| Sequence: |
| ||
| BDBM50062786 | |||
| n/a | |||
| Name | BDBM50062786 | ||
| Synonyms: | ((S)-1-{2-[(4-Guanidinomethyl-cyclohexanecarbonyl)-amino]-acetyl}-3-oxo-4-phenethyl-piperazin-2-yl)-acetic acid | CHEMBL147553 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H36N6O5 | ||
| Mol. Mass. | 500.5905 | ||
| SMILES | NC(=N)NCC1CCC(CC1)C(=O)NCC(=O)N1CCN(CCc2ccccc2)C(=O)[C@@H]1CC(O)=O |wD:31.34,(1.61,-10.39,;2.92,-11.2,;4.28,-10.46,;2.88,-12.74,;4.21,-13.51,;5.54,-12.74,;6.87,-13.52,;8.22,-12.75,;8.2,-11.21,;6.87,-10.44,;5.55,-11.2,;9.54,-10.44,;9.53,-8.9,;10.87,-11.21,;12.21,-10.44,;13.54,-11.21,;13.54,-12.75,;14.87,-10.44,;14.87,-8.9,;16.2,-8.12,;17.53,-8.9,;18.86,-8.13,;20.19,-8.9,;21.54,-8.13,;21.52,-6.6,;22.85,-5.83,;24.2,-6.61,;24.2,-8.15,;22.85,-8.91,;17.53,-10.44,;18.86,-11.21,;16.2,-11.2,;16.2,-12.74,;17.53,-13.51,;17.53,-15.05,;18.86,-12.74,)| | ||
| Structure | 
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