BDBM195579 (2S,3S)-1-(3-(4-(2-morpholinopyrimidin-5-yl)phenyl)-1H-1,2,4-triazole-1-carbonyl)-2-phenylpiperidine-3-carboxylic acid (10)
SMILES: OC(=O)[C@H]1CCCN([C@@H]1c1ccccc1)C(=O)n1cnc(n1)-c1ccc(cc1)-c1cnc(nc1)N1CCOCC1
InChI Key: InChIKey=OWBNMAVVNDAXQY-LOSJGSFVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Acyl-CoA: cholesterol acyltransferase (ACAT) (Homo sapiens (Human)) | BDBM195579 ((2S,3S)-1-(3-(4-(2-morpholinopyrimidin-5-yl)phenyl...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Pfizer Inc. | Assay Description For determination of IC50 values for CES1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of 25... | ACS Chem Biol 11: 2529-40 (2016) Article DOI: 10.1021/acschembio.6b00266 BindingDB Entry DOI: 10.7270/Q24X56K5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysophospholipase-like 1 (LYPLAL1) (Homo sapiens (Human)) | BDBM195579 ((2S,3S)-1-(3-(4-(2-morpholinopyrimidin-5-yl)phenyl...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Pfizer Inc. | Assay Description For determination of IC50 values for LYPLAL1 inhibitors, the reactions were carried out in 1.5 mL microcentrifuge tubes in a total reaction volume of... | ACS Chem Biol 11: 2529-40 (2016) Article DOI: 10.1021/acschembio.6b00266 BindingDB Entry DOI: 10.7270/Q24X56K5 | |||||||||||
More data for this Ligand-Target Pair |