BDBM214781 OPRT inhibitor, 4

SMILES: OC1C(O)[C@H](Cn2cc(Br)c(=O)[nH]c2=O)[NH2+][C@@H]1COP(O)(O)=O

InChI Key:

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 214781   

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))	BDBM214781 (OPRT inhibitor, 4) Show SMILES OC1C(O)[C@H](Cn2cc(Br)c(=O)[nH]c2=O)[NH2+][C@@H]1COP(O)(O)=O |r| Show InChI	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)	BDBM214781 (OPRT inhibitor, 4) Show SMILES OC1C(O)[C@H](Cn2cc(Br)c(=O)[nH]c2=O)[NH2+][C@@H]1COP(O)(O)=O |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	370	-8.77	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