BDBM50058236 (S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-piperidin-4-yl-ethyl)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine-2-carbonyl]-amino}-propionic acid::2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-piperidin-4-yl-ethyl)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine-2-carbonyl]-amino}-propionic acid(L-734115)::CHEMBL40502::L-734115
SMILES: CCCCS(=O)(=O)N[C@@H](CNC(=O)c1cc2C(=O)N(CCC3CCNCC3)CCn2n1)C(O)=O
InChI Key: InChIKey=FXBDPMBWPSLDQZ-KRWDZBQOSA-N
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)) | BDBM50058236![]() ((S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-pipe...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of L-736,622 from purified resting Fibrinogen Receptor | J Med Chem 40: 1779-88 (1997) Article DOI: 10.1021/jm9608117 BindingDB Entry DOI: 10.7270/Q2222VDD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrin alpha-IIb/beta-3 (Homo sapiens (Human)) | BDBM50058236![]() ((S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-pipe...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc. Curated by ChEMBL | Assay Description Dissociation constant for alpha IIb beta-3 integrin rested platelets | 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)) | BDBM50058236![]() ((S)-2-(Butane-1-sulfonylamino)-3-{[4-oxo-5-(2-pipe...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc. Curated by ChEMBL | Assay Description In vitro inhibition of gel filtered platelet aggregation induced by ADP. | J Med Chem 43: 3453-73 (2000) BindingDB Entry DOI: 10.7270/Q2ZS2X79 | |||||||||||
More data for this Ligand-Target Pair |