BDBM214795 OPRT inhibitor, 18

SMILES: OC[C@H]1C[N@@H+](CCc2ccc(cc2)[N+]([O-])=O)CC1O

InChI Key: InChIKey=HIFWOLIHUPOQGN-JTDNENJMSA-O

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 = 214795   

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))	BDBM214795 (OPRT inhibitor, 18) Show SMILES OC[C@H]1C[N@@H+](CCc2ccc(cc2)[N+]([O-])=O)CC1O |r| Show InChI InChI=1S/C13H18N2O4/c16-9-11-7-14(8-13(11)17)6-5-10-1-3-12(4-2-10)15(18)19/h1-4,11,13,16-17H,5-9H2/p+1/t11-,13?/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	-9.05	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)	BDBM214795 (OPRT inhibitor, 18) Show SMILES OC[C@H]1C[N@@H+](CCc2ccc(cc2)[N+]([O-])=O)CC1O |r| Show InChI InChI=1S/C13H18N2O4/c16-9-11-7-14(8-13(11)17)6-5-10-1-3-12(4-2-10)15(18)19/h1-4,11,13,16-17H,5-9H2/p+1/t11-,13?/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	570	-8.51	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