BDBM50062783 CHEMBL310081::TAK-029::{(S)-1-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]-4-carboxymethyl-3-oxo-piperazin-2-yl}-acetic acid::{(S)-4-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]-3-methoxycarbonylmethyl-2-oxo-piperazin-1-yl}-acetic acid::{1-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]-4-carboxymethyl-3-oxo-piperazin-2-yl}-acetic acid(TAK-029)::{4-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]-3-methoxycarbonylmethyl-2-oxo-piperazin-1-yl}-acetic acid
SMILES: COC(=O)C[C@@H]1N(CCN(CC(O)=O)C1=O)C(=O)CNC(=O)c1ccc(cc1)C(N)=N
InChI Key: InChIKey=CRFQJHNXTNBRQR-ZDUSSCGKSA-N
Data: 4 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)) | BDBM50062783 (CHEMBL310081 | TAK-029 | {(S)-1-[2-(4-Carbamimidoy...) | 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 | 0.490 | 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 | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50062783 (CHEMBL310081 | TAK-029 | {(S)-1-[2-(4-Carbamimidoy...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents 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 alpha IIb beta-3 integrin mediated 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)) | BDBM50062783 (CHEMBL310081 | TAK-029 | {(S)-1-[2-(4-Carbamimidoy...) | 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 | 30 | 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-IIb/beta-3 (Homo sapiens (Human)) | BDBM50062783 (CHEMBL310081 | TAK-029 | {(S)-1-[2-(4-Carbamimidoy...) | 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 | 53 | 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 |