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Compile Data Set for Download or QSAR

Found 23 hits of ki for UniProtKB: A0A0J9TE27   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM194499
PNG
(US9200020, Table 3 compound 8)
Show SMILES Nc1nc2n(CCN(CCC(O)=O)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C8H19BNO5P/c9-3-6-10(5-2-8(11)12)4-1-7-16(13,14)15/h1-7,9H2,(H,11,12)(H2,13,14,15)
PDB

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US Patent
50n/an/an/an/an/an/a7.4n/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
PNG
(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)
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300n/an/an/an/an/an/a7.4n/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)
BDBM60890
PNG
(US9200020, Table 3 compound 5B)
Show SMILES OP(O)(=O)CCN(CCC#N)CCn1c[nH]c2c1nc[nH]c2=O
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US Patent
700 -8.73n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM194502
PNG
(US9200020, Table 3 compound 11)
Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C7H20BNO6P2/c8-2-4-9(5-7-17(13,14)15)3-1-6-16(10,11)12/h1-8H2,(H2,10,11,12)(H2,13,14,15)
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900n/an/an/an/an/an/a7.4n/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)
BDBM194501
PNG
(US9200020, Table 3 compound 10)
Show SMILES Nc1nc2n(CCN(CCO)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C7H19BNO4P/c8-2-4-9(5-6-10)3-1-7-14(11,12)13/h10H,1-8H2,(H2,11,12,13)
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US Patent
1.40E+3n/an/an/an/an/an/a7.4n/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)
BDBM194492
PNG
(US9200020, Table 3 compound 1)
Show SMILES CCOC(=O)CN(CCn1c[nH]c2c1nc(N)[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C9H21BNO5P/c1-2-16-9(12)8-11(6-4-10)5-3-7-17(13,14)15/h2-8,10H2,1H3,(H2,13,14,15)
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US Patent
1.50E+3n/an/an/an/an/an/a7.4n/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)
BDBM60894
PNG
(US9200020, Table 3 compound 9B)
Show SMILES OC(=O)CCCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
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US Patent
1.60E+3 -8.22n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM194493
PNG
(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)
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US Patent
4.00E+3n/an/an/an/an/an/a7.4n/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)
BDBM194497
PNG
(US9200020, Table 3 compound 6)
Show SMILES Nc1nc2n(CCN(CCCC#N)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H20BN2O3P/c10-4-8-12(6-2-1-5-11)7-3-9-16(13,14)15/h1-4,6-10H2,(H2,13,14,15)
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US Patent
8.00E+3n/an/an/an/an/an/a7.4n/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)
BDBM60886
PNG
(US9200020, Table 3, Compound 1B)
Show SMILES CCOC(=O)CN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
PDB

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US Patent
1.10E+4 -7.03n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM194491
PNG
(US9200020, Table 1, Compound 2)
Show SMILES Nc1nc2n(CCNCCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C4H13BNO3P/c5-1-2-6-3-4-10(7,8)9/h6H,1-5H2,(H2,7,8,9)
PDB

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US Patent
1.10E+4n/an/an/an/an/an/a7.4n/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)
BDBM60897
PNG
(US9200020, Table 3 compound 11B)
Show SMILES OP(O)(=O)CCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
PDB

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US Patent
1.30E+4 -6.93n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM60896
PNG
(US9200020, Table 3 compound 10B)
Show SMILES OCCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
PDB

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2.10E+4 -6.63n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM60887
PNG
(US9200020, Table 3, Compound 2B)
Show SMILES COC(=O)CCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
PDB

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2.10E+4 -6.63n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM194500
PNG
(US9200020, Table 3 compound 9)
Show SMILES Nc1nc2n(CCN(CCCC(O)=O)CCP(O)(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C9H21BNO5P/c10-4-7-11(5-1-3-9(12)13)6-2-8-17(14,15)16/h1-8,10H2,(H,12,13)(H2,14,15,16)
PDB

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2.50E+4n/an/an/an/an/an/a7.4n/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)
BDBM194498
PNG
(US9200020, Table 3 compound 7)
Show SMILES Nc1nc2n(CCN(CCP(O)(O)=O)CC(O)=O)c[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C7H17BNO5P/c8-2-4-9(6-7(10)11)3-1-5-15(12,13)14/h1-6,8H2,(H,10,11)(H2,12,13,14)
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2.80E+4n/an/an/an/an/an/a7.4n/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)
BDBM60893
PNG
(US9200020, Table 3 compound 8B)
Show SMILES OC(=O)CCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
PDB

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US Patent
4.10E+4 -6.22n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM194495
PNG
(US9200020, Table 3 compound 4)
Show SMILES OP(O)(=O)CCN(CCn1c[nH]c2c1nc[nH]c2=O)CC#N
Show InChI InChI=1S/C7H16BN2O3P/c8-2-5-10(6-3-9)4-1-7-14(11,12)13/h1-2,4-8H2,(H2,11,12,13)
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4.70E+4 -6.14n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM60892
PNG
(US9200020, Table 3 compound 7B)
Show SMILES OC(=O)CN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
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1.78E+5 -5.32n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM194494
PNG
(US9200020, Table 3 compound 3)
Show SMILES COC(=O)CCCN(CCn1c[nH]c2c1nc(N)[nH]c2=O)CCP(O)(O)=O
Show InChI InChI=1S/C10H23BNO5P/c1-17-10(13)4-2-6-12(8-5-11)7-3-9-18(14,15)16/h2-9,11H2,1H3,(H2,14,15,16)
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>2.00E+5n/an/an/an/an/an/a7.4n/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)
BDBM60891
PNG
(US9200020, Table 3 compound 6B)
Show SMILES OP(O)(=O)CCN(CCCC#N)CCn1c[nH]c2c1nc[nH]c2=O
PDB

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>2.30E+5>-5.16n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM60888
PNG
(US9200020, Table 3, Compound 3B)
Show SMILES COC(=O)CCCN(CCn1c[nH]c2c1nc[nH]c2=O)CCP(O)(O)=O
PDB

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>2.50E+5>-5.11n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (HGPRT)


(Plasmodium vivax)
BDBM60884
PNG
(US9200020, Table 1, Compound 2B)
Show SMILES OP(O)(=O)CCNCCn1c[nH]c2c1nc[nH]c2=O
PDB

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>2.50E+5>-5.11n/an/an/an/an/an/a37



THE UNIVERSITY OF QUEENSLAND; INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I.

US Patent


Assay Description
The [3H]-hypoxanthine growth inhibition assay (Desjardins et al., 1979 Antimicrobial Agents Chemother 16: 710-718) was used to evaluate the in vitr...


US Patent US9200020 (2015)


BindingDB Entry DOI: 10.7270/Q2TM78XB
More data for this
Ligand-Target Pair