BDBM92358 HGXPRT Inhibitor, 3

SMILES: OC[C@H](CCP([O-])([O-])=O)[NH2+]c1c[nH]c2c1nc[nH]c2=O

InChI Key: InChIKey=KUKBSFPWXPVZHU-LURJTMIESA-M

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 = 92358   

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
Hypoxanthine-guanine-xanthine phosphoribosyltransferase (PfHGXPRT) (Plasmodium falciparum)	BDBM92358 (HGXPRT Inhibitor, 3) Show SMILES OC[C@H](CCP([O-])([O-])=O)[NH2+]c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C10H13N4O5P/c15-4-6(1-2-20(17,18)19)14-7-3-11-9-8(7)12-5-13-10(9)16/h3,5-6,14-15H,1-2,4H2,(H2,17,18,19)/p-1/t6-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.650	-13.0	n/a	n/a	n/a	n/a	n/a	7.6	37
Albert Einstein College of Medicine					Assay Description PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xa...				Chem Biol 19: 721-30 (2012) Article DOI: 10.1016/j.chembiol.2012.04.012 BindingDB Entry DOI: 10.7270/Q2639NB8
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT) (Homo sapiens (Human))	BDBM92358 (HGXPRT Inhibitor, 3) Show SMILES OC[C@H](CCP([O-])([O-])=O)[NH2+]c1c[nH]c2c1nc[nH]c2=O |r| Show InChI InChI=1S/C10H13N4O5P/c15-4-6(1-2-20(17,18)19)14-7-3-11-9-8(7)12-5-13-10(9)16/h3,5-6,14-15H,1-2,4H2,(H2,17,18,19)/p-1/t6-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	385	-9.10	n/a	n/a	n/a	n/a	n/a	7.6	37
Albert Einstein College of Medicine					Assay Description PfHGXPRT activity was measured using spectrophotometric assay observing the conversion of xanthine and 5-phospho-alpha-D-ribose-1-pyrophosphate to xa...				Chem Biol 19: 721-30 (2012) Article DOI: 10.1016/j.chembiol.2012.04.012 BindingDB Entry DOI: 10.7270/Q2639NB8
					More data for this Ligand-Target Pair