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Compile Data Set for Download or QSAR

Found 130 hits Enz. Inhib. hit(s) with Target = 'Trypanosoma brucei RNA editing ligase 1' AND taxid = 5702   
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
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM34671
PNG
(1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...)
Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3
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n/an/a 411n/an/an/an/an/an/a



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 Ass...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM34905
PNG
(1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...)
Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
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n/an/a 494n/an/an/an/an/an/a



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 Ass...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM51295
PNG
(8-Amino-2-thioxo-2,3-dihydro-1H-benzo[g]pteridin-4...)
Show SMILES Nc1ccc2nc3c(nc2c1)[nH]c(=S)[nH]c3=O
Show InChI InChI=1S/C10H7N5OS/c11-4-1-2-5-6(3-4)13-8-7(12-5)9(16)15-10(17)14-8/h1-3H,11H2,(H2,13,14,15,16,17)
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n/an/a 2.76E+3n/an/an/an/an/an/a



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PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM22860
PNG
(1,2-Dione-Based Compound, 17 | 5,6-dihydro-1=10-ph...)
Show SMILES O=C1C(=O)c2cccnc2-c2ncccc12
Show InChI InChI=1S/C12H6N2O2/c15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10/h1-6H
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n/an/a 3.51E+3n/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128199
PNG
(MLS004257393 | Rugulosin | SMR003082523 | cid_6016...)
Show SMILES Cc1cc(O)c2C(O)=C3C(=O)[C@H]4C(O)[C@@H]5[C@H]6C(O)[C@H](C(=O)C7=C(O)c8c(O)cc(C)cc8C(=O)[C@]467)[C@]35C(=O)c2c1
Show InChI InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-36H,1-2H3/t15-,16-,19+,20+,23?,24?,29+,30+/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM52754
PNG
(3-amino-4-hydroxy-5-nitro-besylic acid | 3-amino-4...)
Show SMILES Nc1cc(cc(c1O)[N+]([O-])=O)S(O)(=O)=O
Show InChI InChI=1S/C6H6N2O6S/c7-4-1-3(15(12,13)14)2-5(6(4)9)8(10)11/h1-2,9H,7H2,(H,12,13,14)
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n/an/a 4.99E+3n/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM34691
PNG
(2-methyl-3-(phenylcarbonyl)benzo[g][1]benzofuran-4...)
Show SMILES Cc1oc-2c(c1C(=O)c1ccccc1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C20H12O4/c1-11-15(17(21)12-7-3-2-4-8-12)16-19(23)18(22)13-9-5-6-10-14(13)20(16)24-11/h2-10H,1H3
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n/an/a 1.03E+4n/an/an/an/an/an/a



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Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128146
PNG
(3,5-bis(2,5-dioxo-1-pyrrolyl)benzoic acid | 3,5-bi...)
Show SMILES OC(=O)c1cc(cc(c1)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
Show InChI InChI=1S/C15H8N2O6/c18-11-1-2-12(19)16(11)9-5-8(15(22)23)6-10(7-9)17-13(20)3-4-14(17)21/h1-7H,(H,22,23)
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n/an/a 1.23E+4n/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM32085
PNG
(MLS000085603 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H11NO4/c18-13-11-8-4-5-9-12(11)14(19)16(13,21)17-15(20)10-6-2-1-3-7-10/h1-9,21H,(H,17,20)
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More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM38573
PNG
(9,10-dimethoxy-2-(2-pyridinylmethylamino)-6,7-dihy...)
Show SMILES COc1cc2CCn3c(cc(NCc4ccccn4)nc3=O)-c2cc1OC
Show InChI InChI=1S/C20H20N4O3/c1-26-17-9-13-6-8-24-16(15(13)10-18(17)27-2)11-19(23-20(24)25)22-12-14-5-3-4-7-21-14/h3-5,7,9-11H,6,8,12H2,1-2H3,(H,22,23,25)
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n/an/a 1.47E+4n/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM34581
PNG
(2-amino-1-(3-methoxypropyl)-N-sec-butyl-pyrrolo[3,...)
Show SMILES CCC(C)NC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
Show InChI InChI=1S/C19H25N5O2/c1-4-12(2)21-19(25)15-16-18(24(17(15)20)10-7-11-26-3)23-14-9-6-5-8-13(14)22-16/h5-6,8-9,12H,4,7,10-11,20H2,1-3H3,(H,21,25)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM38612
PNG
(7-(5-chloro-2-methoxy-anilino)-6-p-anisyl-7H-pyrro...)
Show SMILES COc1ccc(Cn2c(Nc3cc(Cl)ccc3OC)c3[nH]cccc3c2=O)cc1
Show InChI InChI=1S/C22H20ClN3O3/c1-28-16-8-5-14(6-9-16)13-26-21(20-17(22(26)27)4-3-11-24-20)25-18-12-15(23)7-10-19(18)29-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 1.61E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM35368
PNG
(2-amino-N-butyl-1-(3-methoxypropyl)-3-pyrrolo[3,2-...)
Show SMILES CCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
Show InChI InChI=1S/C19H25N5O2/c1-3-4-10-21-19(25)15-16-18(24(17(15)20)11-7-12-26-2)23-14-9-6-5-8-13(14)22-16/h5-6,8-9H,3-4,7,10-12,20H2,1-2H3,(H,21,25)
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Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128128
PNG
((8R)-3-[3-[[(2R)-5-oxidanylidenepyrrolidin-2-yl]ca...)
Show SMILES NC(=O)[C@H]1CC2(CN1C(=O)c1ccccc1)CC(=NO2)c1cccc(NC(=O)[C@H]2CCC(=O)N2)c1
Show InChI InChI=1S/C25H25N5O5/c26-22(32)20-13-25(14-30(20)24(34)15-5-2-1-3-6-15)12-19(29-35-25)16-7-4-8-17(11-16)27-23(33)18-9-10-21(31)28-18/h1-8,11,18,20H,9-10,12-14H2,(H2,26,32)(H,27,33)(H,28,31)/t18-,20-,25?/m1/s1
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Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128198
PNG
(1-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]-N-sec-...)
Show SMILES CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C17H23N3O5S/c1-3-11(2)18-16(21)12-6-8-20(9-7-12)26(23,24)13-4-5-14-15(10-13)25-17(22)19-14/h4-5,10-12H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
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n/an/a 1.97E+4n/an/an/an/an/an/a



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Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128135
PNG
(5-(4-Bromo-phenyl)-4-phenyl-4H-[1,2,4]triazole-3-t...)
Show SMILES [Zn++].[S-]c1nnc(-c2ccc(Br)cc2)n1-c1ccccc1
Show InChI InChI=1S/C14H10BrN3S.Zn/c15-11-8-6-10(7-9-11)13-16-17-14(19)18(13)12-4-2-1-3-5-12;/h1-9H,(H,17,19);/q;+2/p-1
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n/an/a 2.02E+4n/an/an/an/an/an/a



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Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM30755
PNG
(2-amino-N-cyclopentyl-1-(2-oxolanylmethyl)-3-pyrro...)
Show SMILES Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1CC1CCCO1
Show InChI InChI=1S/C21H25N5O2/c22-19-17(21(27)23-13-6-1-2-7-13)18-20(26(19)12-14-8-5-11-28-14)25-16-10-4-3-9-15(16)24-18/h3-4,9-10,13-14H,1-2,5-8,11-12,22H2,(H,23,27)
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n/an/a 2.11E+4n/an/an/an/an/an/a



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More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM40732
PNG
((3E)-3-[(5E)-5-[[(N''E)-N''-[amino(nitramido)methy...)
Show SMILES NC(N[N+]([O-])=O)=NNC=c1ccc(o1)=C1C=CC(=O)C(=C1)C(O)=O
Show InChI InChI=1S/C13H11N5O6/c14-13(17-18(22)23)16-15-6-8-2-4-11(24-8)7-1-3-10(19)9(5-7)12(20)21/h1-6,15H,(H,20,21)(H3,14,16,17)
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n/an/a 2.12E+4n/an/an/an/an/an/a



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Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM32033
PNG
(1-butyl-2-(2-furoylamino)pyrrolo[3,2-b]quinoxaline...)
Show SMILES CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H22N4O4/c1-3-5-12-26-19(25-21(27)16-11-8-13-30-16)17(22(28)29-4-2)18-20(26)24-15-10-7-6-9-14(15)23-18/h6-11,13H,3-5,12H2,1-2H3,(H,25,27)
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n/an/a 2.18E+4n/an/an/an/an/an/a



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PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128124
PNG
(7-(2,3-dihydroindol-1-ylmethyl)-5-thiazolo[3,2-a]p...)
Show SMILES O=c1cc(CN2CCc3ccccc23)nc2sccn12
Show InChI InChI=1S/C15H13N3OS/c19-14-9-12(16-15-18(14)7-8-20-15)10-17-6-5-11-3-1-2-4-13(11)17/h1-4,7-9H,5-6,10H2
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PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM46591
PNG
(2-chloranyl-4-[5-[(Z)-2-[(5-methyl-1H-1,2,4-triazo...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(C(O)=O)c(Cl)c2)C(O)=O)[nH]1
Show InChI InChI=1S/C17H12ClN3O5S/c1-8-19-17(21-20-8)27-14(16(24)25)7-10-3-5-13(26-10)9-2-4-11(15(22)23)12(18)6-9/h2-7H,1H3,(H,22,23)(H,24,25)(H,19,20,21)
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n/an/a 2.29E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM30762
PNG
(2-amino-N-butan-2-yl-1-(2-oxolanylmethyl)-3-pyrrol...)
Show SMILES CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
Show InChI InChI=1S/C20H25N5O2/c1-3-12(2)22-20(26)16-17-19(24-15-9-5-4-8-14(15)23-17)25(18(16)21)11-13-7-6-10-27-13/h4-5,8-9,12-13H,3,6-7,10-11,21H2,1-2H3,(H,22,26)
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n/an/a 2.77E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM91519
PNG
(2-chloranyl-6-methoxy-quinoline-5,8-dione | 2-chlo...)
Show SMILES COC1=CC(=O)c2nc(Cl)ccc2C1=O
Show InChI InChI=1S/C10H6ClNO3/c1-15-7-4-6(13)9-5(10(7)14)2-3-8(11)12-9/h2-4H,1H3
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n/an/a 2.83E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM50511
PNG
(2,3-bis(2-furanyl)-N-(3-hydroxypropyl)-6-quinoxali...)
Show SMILES OCCCNC(=O)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Show InChI InChI=1S/C20H17N3O4/c24-9-3-8-21-20(25)13-6-7-14-15(12-13)23-19(17-5-2-11-27-17)18(22-14)16-4-1-10-26-16/h1-2,4-7,10-12,24H,3,8-9H2,(H,21,25)
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n/an/a 2.84E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM54942
PNG
(3-(1,3-dioxo-2-isoindolyl)-N-(4-sulfamoylphenyl)be...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2cccc(c2)N2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H15N3O5S/c22-30(28,29)16-10-8-14(9-11-16)23-19(25)13-4-3-5-15(12-13)24-20(26)17-6-1-2-7-18(17)21(24)27/h1-12H,(H,23,25)(H2,22,28,29)
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n/an/a 3.08E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM52639
PNG
((1,3-dimethylbenzimidazol-3-ium-2-yl)-(4-morpholin...)
Show SMILES Cn1c(\N=N\c2ccc(cc2)N2CCOCC2)[n+](C)c2ccccc12
Show InChI InChI=1S/C19H22N5O/c1-22-17-5-3-4-6-18(17)23(2)19(22)21-20-15-7-9-16(10-8-15)24-11-13-25-14-12-24/h3-10H,11-14H2,1-2H3/q+1
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n/an/a 3.40E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM76207
PNG
(2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-...)
Show SMILES Oc1cc(=O)[nH]c2c(C#N)c(SCC(=O)Nc3nccs3)sc12
Show InChI InChI=1S/C13H8N4O3S3/c14-4-6-10-11(7(18)3-8(19)16-10)23-12(6)22-5-9(20)17-13-15-1-2-21-13/h1-3H,5H2,(H,15,17,20)(H2,16,18,19)
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n/an/a 3.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM52318
PNG
(1-[5-(3,4-dichlorophenyl)-2-furanyl]-6,7-dimethoxy...)
Show SMILES COc1cc2CCN=C(c3ccc(o3)-c3ccc(Cl)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C21H17Cl2NO3/c1-25-19-10-12-7-8-24-21(14(12)11-20(19)26-2)18-6-5-17(27-18)13-3-4-15(22)16(23)9-13/h3-6,9-11H,7-8H2,1-2H3
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n/an/a 3.58E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM89201
PNG
(2-chlorobenzoic acid [4-[(E)-[(3,5-dihydroxybenzoy...)
Show SMILES Oc1cc(O)cc(c1)C(=O)N\N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1
Show InChI InChI=1S/C21H15ClN2O5/c22-19-4-2-1-3-18(19)21(28)29-17-7-5-13(6-8-17)12-23-24-20(27)14-9-15(25)11-16(26)10-14/h1-12,25-26H,(H,24,27)/b23-12+
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n/an/a 4.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128197
PNG
(1-[(2-keto-3H-1,3-benzoxazol-6-yl)sulfonyl]-N-(3-m...)
Show SMILES COCCCNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
Show InChI InChI=1S/C17H23N3O6S/c1-25-10-2-7-18-16(21)12-5-8-20(9-6-12)27(23,24)13-3-4-14-15(11-13)26-17(22)19-14/h3-4,11-12H,2,5-10H2,1H3,(H,18,21)(H,19,22)
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n/an/a 4.24E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM53882
PNG
(2-(4-aminophenyl)-3H-benzimidazol-5-amine | MLS000...)
Show SMILES Nc1ccc(cc1)-c1nc2ccc(N)cc2[nH]1
Show InChI InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)
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n/an/a 4.61E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM82985
PNG
(2-(3-Cyano-7-hydroxy-5-oxo-4,5-dihydro-thieno[3,2-...)
Show SMILES CCCSc1nnc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)s1
Show InChI InChI=1S/C15H13N5O3S4/c1-2-3-24-15-20-19-14(27-15)18-10(23)6-25-13-7(5-16)11-12(26-13)8(21)4-9(22)17-11/h4H,2-3,6H2,1H3,(H2,17,21,22)(H,18,19,23)
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n/an/a 5.07E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM34753
PNG
(3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)o...)
Show SMILES C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-22,24-30H,1H3/t6-,14-,17+,18+,21-/m0/s1
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n/an/a 5.14E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128125
PNG
(5-chloranyl-1-(4-fluorophenyl)-4-oxidanyl-3-phenyl...)
Show SMILES CC(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C20H17ClFNO2/c1-12(2)18-17(21)19(24)16(13-6-4-3-5-7-13)20(25)23(18)15-10-8-14(22)9-11-15/h3-12,24H,1-2H3
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n/an/a 6.16E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM50393
PNG
((E)-N,N'-bis(5-keto-6-methyl-3-thioxo-2H-1,2,4-tri...)
Show SMILES Cc1n[nH]c(=S)n(NC(=O)C=CC(=O)Nn2c(=S)[nH]nc(C)c2=O)c1=O
Show InChI InChI=1S/C12H12N8O4S2/c1-5-9(23)19(11(25)15-13-5)17-7(21)3-4-8(22)18-20-10(24)6(2)14-16-12(20)26/h3-4H,1-2H3,(H,15,25)(H,16,26)(H,17,21)(H,18,22)
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n/an/a 6.36E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM55182
PNG
(5-[[5-(4-fluoranyl-2-oxidanyl-phenyl)furan-2-yl]me...)
Show SMILES Oc1cc(F)ccc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1
Show InChI InChI=1S/C15H9FN2O5/c16-7-1-3-9(11(19)5-7)12-4-2-8(23-12)6-10-13(20)17-15(22)18-14(10)21/h1-6,19H,(H2,17,18,20,21,22)
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n/an/a 6.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM52864
PNG
(4-[5-[(E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfa...)
Show SMILES Cc1nnc(SC(=Cc2ccc(o2)-c2ccc(cc2)C(O)=O)C(O)=O)[nH]1
Show InChI InChI=1S/C17H13N3O5S/c1-9-18-17(20-19-9)26-14(16(23)24)8-12-6-7-13(25-12)10-2-4-11(5-3-10)15(21)22/h2-8H,1H3,(H,21,22)(H,23,24)(H,18,19,20)
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n/an/a 7.79E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM80343
PNG
((4-chlorodithiazol-5-ylidene)-(5-methyl-1,3,4-oxad...)
Show SMILES Cc1nnc(N=c2ssnc2Cl)o1
Show InChI InChI=1S/C5H3ClN4OS2/c1-2-8-9-5(11-2)7-4-3(6)10-13-12-4/h1H3
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n/an/a 7.90E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128189
PNG
(4-(4-chlorophenyl)-6-methyl-1-[2-(trifluoromethyl)...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(cc2)C(F)(F)F)=NC1c1ccc(Cl)cc1
Show InChI InChI=1S/C29H24ClF6N3O2/c1-17-24(26(40)41-2)25(19-9-13-22(30)14-10-19)38-27(37-15-18-7-11-21(12-8-18)28(31,32)33)39(17)16-20-5-3-4-6-23(20)29(34,35)36/h3-14,25H,15-16H2,1-2H3,(H,37,38)
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n/an/a>9.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128190
PNG
(4-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=NC1c1ccc(Cl)cc1
Show InChI InChI=1S/C29H27ClF3N3O3/c1-18-25(27(37)39-3)26(20-10-12-22(30)13-11-20)35-28(34-16-19-8-14-23(38-2)15-9-19)36(18)17-21-6-4-5-7-24(21)29(31,32)33/h4-15,26H,16-17H2,1-3H3,(H,34,35)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128191
PNG
(2-(allylamino)-4-(4-fluorophenyl)-6-methyl-1-[2-(t...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC=C)=NC1c1ccc(F)cc1
Show InChI InChI=1S/C24H23F4N3O2/c1-4-13-29-23-30-21(16-9-11-18(25)12-10-16)20(22(32)33-3)15(2)31(23)14-17-7-5-6-8-19(17)24(26,27)28/h4-12,21H,1,13-14H2,2-3H3,(H,29,30)
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128192
PNG
(2-(cyclopropylmethylamino)-4-(4-fluorophenyl)-6-me...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCC2CC2)=NC1c1ccc(F)cc1
Show InChI InChI=1S/C25H25F4N3O2/c1-15-21(23(33)34-2)22(17-9-11-19(26)12-10-17)31-24(30-13-16-7-8-16)32(15)14-18-5-3-4-6-20(18)25(27,28)29/h3-6,9-12,16,22H,7-8,13-14H2,1-2H3,(H,30,31)
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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 Ass...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128193
PNG
(6-methyl-1-[2-(trifluoromethyl)benzyl]-2-[[3-(trif...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2cccc(c2)C(F)(F)F)=NC1c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H24F9N3O2/c1-17-24(26(43)44-2)25(19-10-12-21(13-11-19)28(31,32)33)41-27(40-15-18-6-5-8-22(14-18)29(34,35)36)42(17)16-20-7-3-4-9-23(20)30(37,38)39/h3-14,25H,15-16H2,1-2H3,(H,40,41)
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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 Ass...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128194
PNG
(6-methyl-1-[2-(trifluoromethyl)benzyl]-2-[[4-(trif...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(cc2)C(F)(F)F)=NC1c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H24F9N3O2/c1-17-24(26(43)44-2)25(19-9-13-22(14-10-19)29(34,35)36)41-27(40-15-18-7-11-21(12-8-18)28(31,32)33)42(17)16-20-5-3-4-6-23(20)30(37,38)39/h3-14,25H,15-16H2,1-2H3,(H,40,41)
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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 Ass...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128195
PNG
(2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-[4-...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3OCOc3c2)=NC1c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C30H25F6N3O4/c1-17-25(27(40)41-2)26(19-8-10-21(11-9-19)29(31,32)33)38-28(37-14-18-7-12-23-24(13-18)43-16-42-23)39(17)15-20-5-3-4-6-22(20)30(34,35)36/h3-13,26H,14-16H2,1-2H3,(H,37,38)
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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 Ass...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128196
PNG
(2-(benzylamino)-6-methyl-4-phenethyl-1-[2-(trifluo...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=NC1CCc1ccccc1
Show InChI InChI=1S/C30H30F3N3O2/c1-21-27(28(37)38-2)26(18-17-22-11-5-3-6-12-22)35-29(34-19-23-13-7-4-8-14-23)36(21)20-24-15-9-10-16-25(24)30(31,32)33/h3-16,26H,17-20H2,1-2H3,(H,34,35)
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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 Ass...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128200
PNG
((S)-N-cyclohexyl-4-((1-((2,2-diphenylethyl)amino)-...)
Show SMILES CN1CCC(CC1)(N[C@@H](Cc1ccccc1)C(=O)NCC(c1ccccc1)c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C36H46N4O2/c1-40-24-22-36(23-25-40,35(42)38-31-20-12-5-13-21-31)39-33(26-28-14-6-2-7-15-28)34(41)37-27-32(29-16-8-3-9-17-29)30-18-10-4-11-19-30/h2-4,6-11,14-19,31-33,39H,5,12-13,20-27H2,1H3,(H,37,41)(H,38,42)/t33-/m0/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 Ass...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128131
PNG
(1-[2-[3-(4-benzylpiperidin-1-yl)propoxy]phenyl]pro...)
Show SMILES OC(=O)C(O)=O.CCC(=O)c1ccccc1OCCCN1CCC(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H31NO2.C2H2O4/c1-2-23(26)22-11-6-7-12-24(22)27-18-8-15-25-16-13-21(14-17-25)19-20-9-4-3-5-10-20;3-1(4)2(5)6/h3-7,9-12,21H,2,8,13-19H2,1H3;(H,3,4)(H,5,6)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128132
PNG
(3-(2-bromanyl-4,6-dimethyl-phenoxy)-N-(phenylmethy...)
Show SMILES OC(=O)C(O)=O.Cc1cc(C)c(OCCCNCc2ccccc2)c(Br)c1
Show InChI InChI=1S/C18H22BrNO.C2H2O4/c1-14-11-15(2)18(17(19)12-14)21-10-6-9-20-13-16-7-4-3-5-8-16;3-1(4)2(5)6/h3-5,7-8,11-12,20H,6,9-10,13H2,1-2H3;(H,3,4)(H,5,6)
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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 Ass...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128133
PNG
((4-benzoxy-3-methoxy-benzyl)-benzyl-[2-(dimethylam...)
Show SMILES OC(=O)C(O)=O.COc1cc(CN(CCN(C)C)Cc2ccccc2)ccc1OCc1ccccc1
Show InChI InChI=1S/C26H32N2O2.C2H2O4/c1-27(2)16-17-28(19-22-10-6-4-7-11-22)20-24-14-15-25(26(18-24)29-3)30-21-23-12-8-5-9-13-23;3-1(4)2(5)6/h4-15,18H,16-17,19-21H2,1-3H3;(H,3,4)(H,5,6)
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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 Ass...


PubChem Bioassay (2014)

More data for this
Ligand-Target Pair
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