BDBM194493 US9200020, Table 3 compound 2

SMILES: COC(=O)CCN(CCn1c[nH]c2c1nc(N)[nH]c2=O)CCP(O)(O)=O

InChI Key: InChIKey=IBECGULBMMNLGL-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 194493   

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)	BDBM194493 (US9200020, Table 3 compound 2) Show SMILES COC(=O)CCN(CCn1c[nH]c2c1nc(N)[nH]c2=O)CCP(O)(O)=O Show InChI InChI=1S/C9H21BNO5P/c1-16-9(12)3-6-11(7-4-10)5-2-8-17(13,14)15/h2-8,10H2,1H3,(H2,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	100	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. US Patent					Assay Description The Ki values were determined using a spectrophotometric assay at 25° C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...				US Patent US9200020 (2015) BindingDB Entry DOI: 10.7270/Q2TM78XB
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT) (Homo sapiens (Human))	BDBM194493 (US9200020, Table 3 compound 2) Show SMILES COC(=O)CCN(CCn1c[nH]c2c1nc(N)[nH]c2=O)CCP(O)(O)=O Show InChI InChI=1S/C9H21BNO5P/c1-16-9(12)3-6-11(7-4-10)5-2-8-17(13,14)15/h2-8,10H2,1H3,(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. US Patent					Assay Description The Ki values were determined using a spectrophotometric assay at 25° C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...				US Patent US9200020 (2015) BindingDB Entry DOI: 10.7270/Q2TM78XB
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT) (Plasmodium vivax)	BDBM194493 (US9200020, Table 3 compound 2) Show SMILES COC(=O)CCN(CCn1c[nH]c2c1nc(N)[nH]c2=O)CCP(O)(O)=O Show InChI InChI=1S/C9H21BNO5P/c1-16-9(12)3-6-11(7-4-10)5-2-8-17(13,14)15/h2-8,10H2,1H3,(H2,13,14,15)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. US Patent					Assay Description The Ki values were determined using a spectrophotometric assay at 25° C., 0.1 M Tris-HCl, 10 mM MgCl2, pH 7.4 (Keough, D. T.; Ng, A. L.; Winzor, D. J...				US Patent US9200020 (2015) BindingDB Entry DOI: 10.7270/Q2TM78XB
					More data for this Ligand-Target Pair