BDBM50298134 (4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl}-4-({[6-phenyl-4-(piperidin-4-yloxy)yridin-2-yl]carbonyl}amino)entanoicAcid::(S)-5-oxo-5-(4-(pentyloxycarbonyl)piperazin-1-yl)-4-(6-phenyl-4-(piperidin-4-yloxy)picolinamido)pentanoic acid::CHEMBL552972
SMILES: CCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)NC(=O)c1cc(OC2CCNCC2)cc(n1)-c1ccccc1
InChI Key: InChIKey=BKMXMTVDPMXZJQ-SANMLTNESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Purinergic receptor P2Y12 (Homo sapiens (Human)) | BDBM50298134 ((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development Curated by ChEMBL | Assay Description Displacement of [33P]ADP from human recombinant P2Y12 receptor expressed in CHO cells | J Med Chem 53: 2010-37 (2010) Article DOI: 10.1021/jm901518t BindingDB Entry DOI: 10.7270/Q2HH6K50 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y12 (Homo sapiens (Human)) | BDBM50298134 ((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development Curated by ChEMBL | Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cells | Bioorg Med Chem Lett 19: 4657-63 (2009) Article DOI: 10.1016/j.bmcl.2009.06.075 BindingDB Entry DOI: 10.7270/Q2JS9QGW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Purinergic receptor P2Y12 (Homo sapiens (Human)) | BDBM50298134 ((4S)5-Oxo-5-{4-[(pentyloxy)carbonyl]piperazin-1-yl...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research& Development Curated by ChEMBL | Assay Description Antagonist activity at human P2Y12 receptor assessed as inhibition of ADP-induced platelet-rich plasma aggregation by turbidimetric method | Bioorg Med Chem Lett 19: 4657-63 (2009) Article DOI: 10.1016/j.bmcl.2009.06.075 BindingDB Entry DOI: 10.7270/Q2JS9QGW | |||||||||||
More data for this Ligand-Target Pair |