BDBM214794 OPRT inhibitor, 17
SMILES: OC[C@H]1C[N@@H+](Cc2ccc(cc2)[N+]([O-])=O)CC1O
InChI Key: InChIKey=KLSPGPILACJFFD-RWANSRKNSA-O
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 (HsOPRT) (Homo sapiens (Human)) | BDBM214794 (OPRT inhibitor, 17) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 200 | -9.13 | 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 (PfOPRT) (Plasmodium falciparum) | BDBM214794 (OPRT inhibitor, 17) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 750 | -8.35 | 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 |