BDBM194496 US9200020, Table 3 compound 5

SMILES: Nc1nc2n(CCN(CCC#N)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1

InChI Key: InChIKey=SGKSTKQGFALLEH-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 = 194496   

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 phosphoribosyltransferase (HGPRT) (Homo sapiens (Human))	BDBM194496 (US9200020, Table 3 compound 5) Show SMILES Nc1nc2n(CCN(CCC#N)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C8H18BN2O3P/c9-3-7-11(5-1-4-10)6-2-8-15(12,13)14/h1-3,5-9H2,(H2,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	70	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-xanthine phosphoribosyltransferase (PfHGXPRT) (Plasmodium falciparum)	BDBM194496 (US9200020, Table 3 compound 5) Show SMILES Nc1nc2n(CCN(CCC#N)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C8H18BN2O3P/c9-3-7-11(5-1-4-10)6-2-8-15(12,13)14/h1-3,5-9H2,(H2,12,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	200	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)	BDBM194496 (US9200020, Table 3 compound 5) Show SMILES Nc1nc2n(CCN(CCC#N)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C8H18BN2O3P/c9-3-7-11(5-1-4-10)6-2-8-15(12,13)14/h1-3,5-9H2,(H2,12,13,14)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	300	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