BDBM50003874 CHEMBL108111::LAMIFIBAN::Ro-44-9883::{1-[(S)-2-(4-Carbamimidoyl-benzoylamino)-3-(4-hydroxy-phenyl)-propionyl]-piperidin-4-yloxy}-acetic acid::{1-[2-(4-Carbamimidoyl-benzoylamino)-3-(4-hydroxy-phenyl)-propionyl]-piperidin-4-yloxy}-acetic acid (Ro 44-9883 (Lamifiban))::{1-[2-(4-Carbamimidoyl-benzoylamino)-3-(4-hydroxy-phenyl)-propionyl]-piperidin-4-yloxy}-acetic acid (Ro 44-9883)
SMILES: NC(=N)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC(CC1)OCC(O)=O
InChI Key: InChIKey=FPKOGTAFKSLZLD-FQEVSTJZSA-N
Data: 2 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)) | BDBM50003874 (CHEMBL108111 | LAMIFIBAN | Ro-44-9883 | {1-[(S)-2-...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 30 | 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 | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50003874 (CHEMBL108111 | LAMIFIBAN | Ro-44-9883 | {1-[(S)-2-...) | 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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description Inhibition of FG binding to alpha IIb beta3 integrin | J Med Chem 39: 3139-47 (1996) Article DOI: 10.1021/jm9509298 BindingDB Entry DOI: 10.7270/Q2GT5M7Q | |||||||||||
More data for this Ligand-Target Pair |