BDBM50092123 ((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino]-propionyl}-piperidin-4-yloxy)-acetic acid ethyl ester::(1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino]-propionyl}-1,2,3,4-tetrahydro-pyridin-4-yloxy)-acetic acid ethyl ester(Ro 48-3657(sibrafiban))::CHEMBL435176::Ro-48-3657
SMILES: CCOC(=O)COC1CCN(CC1)C(=O)[C@H](C)NC(=O)c1ccc(cc1)C(=N)NO
InChI Key: InChIKey=WBNUCLPUOSXSNJ-ZDUSSCGKSA-N
Data: 7 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)) | BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.14 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Tested for inhibition of the binding of fibrinogen to purified human GPIIb-IIIa in a 96-well format (ELISA assay) | J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of platelet aggregation induced by 20 microM adenosine 5-diphosphate (ADP) in citrated human platelet rich plasma (h-PRP) | J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ITGAV/ITGB3 (Homo sapiens (Human)) | BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of vitronectin binding to Vitronectin receptor (alpha V beta 3) | J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc. Curated by ChEMBL | Assay Description inhibition of platelet aggregation in human platelet rich plasma | J Med Chem 43: 3453-73 (2000) BindingDB Entry DOI: 10.7270/Q2ZS2X79 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of human platelet (h-PRP) aggregation induced by 20 microM ADP with PPACK | J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of human platelet (h-PRP) aggregation induced by 5 microM TRAP6 with PPACK | J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50092123 (((S)-1-{2-[4-(N-Hydroxycarbamimidoyl)-benzoylamino...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Millennium Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of citrated human (h-PRP) platelet aggregation induced by 5 uM TRAP6 | J Med Chem 47: 2037-61 (2004) Article DOI: 10.1021/jm030354b BindingDB Entry DOI: 10.7270/Q2FQ9W1H | |||||||||||
More data for this Ligand-Target Pair |