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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'likely tRNA 2'-phosphotransferase'   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM54758
PNG
((5Z)-1-(1,1-diketothiolan-3-yl)-5-(2-furfurylidene...)
Show SMILES CC1=C(C#N)C(=O)N(C2CCS(=O)(=O)C2)C(=O)\C1=C/c1ccco1
Show InChI InChI=1S/C16H14N2O5S/c1-10-13(7-12-3-2-5-23-12)15(19)18(16(20)14(10)8-17)11-4-6-24(21,22)9-11/h2-3,5,7,11H,4,6,9H2,1H3/b13-7-
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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM55013
PNG
(2-[(5Z)-5-(3-chloro-4-hydroxy-5-methoxy-benzyliden...)
Show SMILES COc1cc(\C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc(Cl)c1O
Show InChI InChI=1S/C19H14ClFN2O5S/c1-28-14-7-10(6-11(20)17(14)25)8-15-18(26)23(19(27)29-15)9-16(24)22-13-5-3-2-4-12(13)21/h2-8,25H,9H2,1H3,(H,22,24)/b15-8-
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM55008
PNG
(CEFSULODIN SODIUM SALT | MLS000069560 | SMR0000587...)
Show SMILES NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(c2ccccc2)S([O-])(=O)=O)C3=O)C([O-])=O)cc1
Show InChI InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p-1/t15-,17?,21-/m1/s1
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM46749
PNG
(1-acetyl-3-(2,6-dimethyl-4-pyranylidene)-2-indolon...)
Show SMILES CC(=O)N1C(=O)C(c2ccccc12)=C1C=C(C)OC(C)=C1
Show InChI InChI=1S/C17H15NO3/c1-10-8-13(9-11(2)21-10)16-14-6-4-5-7-15(14)18(12(3)19)17(16)20/h4-9H,1-3H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM51782
PNG
((5E)-5-(2-furanylmethylidene)-1-(2-methylphenyl)-2...)
Show SMILES Cc1ccccc1N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C16H12N2O3S/c1-10-5-2-3-7-13(10)18-15(20)12(14(19)17-16(18)22)9-11-6-4-8-21-11/h2-9H,1H3,(H,17,19,22)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM51791
PNG
(5-[(3,5-dimethyl-1-pyrazolyl)methyl]-N-[[5-(4-nitr...)
Show SMILES Cc1cc(C)n(Cc2ccc(o2)C(=O)N\N=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1
Show InChI InChI=1S/C22H19N5O5/c1-14-11-15(2)26(25-14)13-19-8-10-21(32-19)22(28)24-23-12-18-7-9-20(31-18)16-3-5-17(6-4-16)27(29)30/h3-12H,13H2,1-2H3,(H,24,28)/b23-12+
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM46229
PNG
(4-chloranyl-N-(3,4-dihydro-2H-thiochromen-4-yl)-3-...)
Show SMILES NS(=O)(=O)c1cc(ccc1Cl)C(=O)NC1CCSc2ccccc12
Show InChI InChI=1S/C16H15ClN2O3S2/c17-12-6-5-10(9-15(12)24(18,21)22)16(20)19-13-7-8-23-14-4-2-1-3-11(13)14/h1-6,9,13H,7-8H2,(H,19,20)(H2,18,21,22)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM55011
PNG
((5E)-1-(4-methylphenyl)-5-[(5-nitro-2-furanyl)meth...)
Show SMILES Cc1ccc(cc1)-n1c(=O)[nH]c([O-])c([CH+]c2ccc(o2)[N+]([O-])=O)c1=O
Show InChI InChI=1S/C16H11N3O6/c1-9-2-4-10(5-3-9)18-15(21)12(14(20)17-16(18)22)8-11-6-7-13(25-11)19(23)24/h2-8H,1H3,(H-,17,20,21,22)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM54791
PNG
(5-chloranyl-2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]...)
Show SMILES COc1ccc(Cl)cc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1
Show InChI InChI=1S/C19H14ClN5O2/c1-27-17-7-5-13(20)10-15(17)19(26)22-14-4-2-3-12(9-14)16-6-8-18-23-21-11-25(18)24-16/h2-11H,1H3,(H,22,26)
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM51785
PNG
((5E)-1-(2,5-dimethoxyphenyl)-5-(2-furanylmethylide...)
Show SMILES COc1ccc(OC)c(c1)N1C(=S)NC(=O)C(=Cc2ccco2)C1=O
Show InChI InChI=1S/C17H14N2O5S/c1-22-10-5-6-14(23-2)13(9-10)19-16(21)12(15(20)18-17(19)25)8-11-4-3-7-24-11/h3-9H,1-2H3,(H,18,20,25)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM55014
PNG
(MLS000924860 | SMR000623716 | cid_20868233)
Show SMILES CCN1CCN(CC1)c1cc(N2CCN(CC2)C(=O)c2ccco2)c2C(=O)c3ccccc3-c3onc1c23
Show InChI InChI=1S/C29H29N5O4/c1-2-31-9-11-33(12-10-31)22-18-21(32-13-15-34(16-14-32)29(36)23-8-5-17-37-23)24-25-26(22)30-38-28(25)20-7-4-3-6-19(20)27(24)35/h3-8,17-18H,2,9-16H2,1H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM50648
PNG
(MLS000762704 | N-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-...)
Show SMILES O=C(NN1C(=S)S\C(=C/C=C/c2ccco2)C1=O)c1ccncc1
Show InChI InChI=1S/C16H11N3O3S2/c20-14(11-6-8-17-9-7-11)18-19-15(21)13(24-16(19)23)5-1-3-12-4-2-10-22-12/h1-10H,(H,18,20)/b3-1+,13-5-
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM44482
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES CC(C)C(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
Show InChI InChI=1S/C15H15NO4S2/c1-9(2)12(14(18)19)16-13(17)11(22-15(16)21)7-3-5-10-6-4-8-20-10/h3-9,12H,1-2H3,(H,18,19)/b5-3+,11-7-
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM50729
PNG
(MLS000778639 | N-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-...)
Show SMILES O=C1N(NS(=O)(=O)c2ccccc2)C(=S)S\C1=C/C=C/c1ccco1
Show InChI InChI=1S/C16H12N2O4S3/c19-15-14(10-4-6-12-7-5-11-22-12)24-16(23)18(15)17-25(20,21)13-8-2-1-3-9-13/h1-11,17H/b6-4+,14-10-
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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM52921
PNG
((5E)-5-(3-ethoxy-4-hydroxy-benzylidene)-1-[2-(4-fl...)
Show SMILES CCOc1cc(\C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)ccc1O
Show InChI InChI=1S/C21H19FN2O5/c1-2-29-18-12-14(5-8-17(18)25)11-16-19(26)23-21(28)24(20(16)27)10-9-13-3-6-15(22)7-4-13/h3-8,11-12,25H,2,9-10H2,1H3,(H,23,26,28)/b16-11+
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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM55012
PNG
((5Z)-1-(2-furanylmethyl)-5-[[1-[2-(4-methylphenoxy...)
Show SMILES Cc1ccc(OCCn2cccc2\C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1
Show InChI InChI=1S/C23H21N3O5/c1-16-6-8-18(9-7-16)31-13-11-25-10-2-4-17(25)14-20-21(27)24-23(29)26(22(20)28)15-19-5-3-12-30-19/h2-10,12,14H,11,13,15H2,1H3,(H,24,27,29)/b20-14-
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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM55010
PNG
(1-methyl-6-oxidanylidene-N'-[(Z)-(2-oxidanylidenen...)
Show SMILES Cn1cc(ccc1=O)C(=O)NN=Cc1c(O)ccc2ccccc12
Show InChI InChI=1S/C18H15N3O3/c1-21-11-13(7-9-17(21)23)18(24)20-19-10-15-14-5-3-2-4-12(14)6-8-16(15)22/h2-11,22H,1H3,(H,20,24)
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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
likely tRNA 2'-phosphotransferase


(Candida albicans SC5314)
BDBM55009
PNG
((6-methyl-4-phenyl-quinazolin-2-yl)-[(5-nitro-2-fu...)
Show SMILES Cc1ccc2nc(N=NCc3ccc(o3)[N+]([O-])=O)nc(-c3ccccc3)c2c1
Show InChI InChI=1S/C20H15N5O3/c1-13-7-9-17-16(11-13)19(14-5-3-2-4-6-14)23-20(22-17)24-21-12-15-8-10-18(28-15)25(26)27/h2-11H,12H2,1H3
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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair