BDBM214782 OPRT inhibitor, 5
SMILES: OC[C@H]1[NH2+][C@@H](Cn2c(cc(=O)[nH]c2=O)C#N)C(O)C1O
InChI Key:
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Orotate phosphoribosyltransferase (PfOPRT) (Plasmodium falciparum) | BDBM214782 (OPRT inhibitor, 5) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 300 | -8.89 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Albert Einstein College of Medicine | Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a... | J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Orotate phosphoribosyltransferase (HsOPRT) (Homo sapiens (Human)) | BDBM214782 (OPRT inhibitor, 5) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 360 | -8.78 | n/a | n/a | n/a | n/a | n/a | 8.0 | 25 |
Albert Einstein College of Medicine | Assay Description Inhibition constants (Ki, equivalent to Kd for competitive inhibitors) were measured at 25 °C by adding purified OPRT enzymes (25 nM for PfOPRT a... | J Biol Chem 288: 34746-54 (2013) Article DOI: 10.1074/jbc.M113.521955 BindingDB Entry DOI: 10.7270/Q2T152GD | |||||||||||
More data for this Ligand-Target Pair |