BDBM50241181 (2S)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidopentanamido]acetamido}-3-carboxypropanamido]-3-methylbutanoic acid::(S)-2-{(S)-2-[2-((S)-2-amino-5-guanidino-pentanoylamino)-acetylamino]-3-carboxy-propionylamino}-3-methyl-butyric acid::2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butylcarboxamidomethylcarboxamido]-2-carboxy-(1S)-ethylcarboxamido]-3-methyl-(2S)-butanoic acid::2-{2-[2-(2-Amino-5-guanidino-pentanoylamino)-acetylamino]-3-carboxy-propionylamino}-3-methyl-butyric acid::Arg-Gly-Asp-Val::CHEMBL397915::RGDV
SMILES: [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
InChI Key: InChIKey=MDNRBNZIOBQHHK-KWBADKCTSA-N
Data: 3 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)) | BDBM50241181 ((2S)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidop...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.00E+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)) | BDBM50241181 ((2S)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidop...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of fibrinogen binding to activated human platelets | Citation and Details Article DOI: 10.1016/S0960-894X(97)00311-9 BindingDB Entry DOI: 10.7270/Q2J104GV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50241181 ((2S)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidop...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of fibrinogen binding to activated human platelets | Citation and Details Article DOI: 10.1016/S0960-894X(97)00311-9 BindingDB Entry DOI: 10.7270/Q2J104GV | |||||||||||
More data for this Ligand-Target Pair |