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PubChem AID 1117295

Compile data set for download or QSAR
Found 130 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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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n/an/a 1.37E+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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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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n/an/a 1.51E+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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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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n/an/a 1.79E+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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
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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n/an/a 1.97E+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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
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 [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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
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



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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM34702
PNG
((4E)-2,3-dihydroxy-4-[[(4-methyl-2-methylimino-1,3...)
Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C12H13N3O3S/c1-7-6-19-12(13-2)15(7)14-5-8-3-4-9(16)11(18)10(8)17/h3-6,16-18H,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM83807
PNG
(2-(4-isobutylphenyl)-N'-phenethyl-propionamidine;h...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(N)=NCCc1ccccc1
Show InChI InChI=1S/C21H28N2/c1-16(2)15-19-9-11-20(12-10-19)17(3)21(22)23-14-13-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H2,22,23)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128142
PNG
(1-(nonoxymethyl)-3-(phenylmethyl)benzimidazol-3-iu...)
Show SMILES CCCCCCCCCOCn1c[n+](Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C24H33N2O.ClH/c1-2-3-4-5-6-7-13-18-27-21-26-20-25(19-22-14-9-8-10-15-22)23-16-11-12-17-24(23)26;/h8-12,14-17,20H,2-7,13,18-19,21H2,1H3;1H/q+1;/p-1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128144
PNG
(LK-LW | MLS000562557 | SMR000391052 | cid_25102312)
Show SMILES CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C
Show InChI InChI=1S/C51H78N18O5.ClH/c1-6-24-72-26-28-74-29-27-73-25-15-55-49-57-50(66-20-16-64(17-21-66)47(70)45(13-9-10-14-52)68-34-43(60-62-68)40(53)30-36(2)3)59-51(58-49)67-22-18-65(19-23-67)48(71)46(33-39-32-38-11-7-8-12-42(38)56-39)69-35-44(61-63-69)41(54)31-37(4)5;/h1,7-8,11-12,32,34-37,40-41,45-46,56H,9-10,13-31,33,52-54H2,2-5H3,(H,55,57,58,59);1H/t40-,41-,45-,46-;/m0./s1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128149
PNG
(MLS002703109 | SMR001566914 | [1-[(E)-cinnamyl]-2-...)
Show SMILES Cc1c([n+]2ccccc2n1C\C=C\c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H26N2PS.BrH/c1-24-29(32(33,26-17-7-3-8-18-26)27-19-9-4-10-20-27)31-22-12-11-21-28(31)30(24)23-13-16-25-14-5-2-6-15-25;/h2-22H,23H2,1H3;1H/q+1;/p-1/b16-13+;
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128160
PNG
(6-methyl-1-[4-(trifluoromethyl)benzyl]-2-[[2-(trif...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccc(cc2)C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H24F9N3O2/c1-17-24(26(43)44-2)25(21-8-4-6-10-23(21)30(37,38)39)41-27(40-15-19-7-3-5-9-22(19)29(34,35)36)42(17)16-18-11-13-20(14-12-18)28(31,32)33/h3-14,25H,15-16H2,1-2H3,(H,40,41)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128161
PNG
(2-(allylamino)-6-methyl-1-[3-(trifluoromethyl)benz...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCC=C)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H23F6N3O2/c1-4-12-32-23-33-21(18-10-5-6-11-19(18)25(29,30)31)20(22(35)36-3)15(2)34(23)14-16-8-7-9-17(13-16)24(26,27)28/h4-11,13,21H,1,12,14H2,2-3H3,(H,32,33)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128168
PNG
(6-methyl-1-[3-(trifluoromethyl)benzyl]-4-[2-(trifl...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C32H31F6N3O5/c1-18-26(29(42)46-5)27(22-11-6-7-12-23(22)32(36,37)38)40-30(41(18)17-19-9-8-10-21(13-19)31(33,34)35)39-16-20-14-24(43-2)28(45-4)25(15-20)44-3/h6-15,27H,16-17H2,1-5H3,(H,39,40)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM50432
PNG
(2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-1-...)
Show SMILES O=C(CSc1nnc(-c2ccco2)c(n1)-c1ccco1)c1ccccc1
Show InChI InChI=1S/C19H13N3O3S/c23-14(13-6-2-1-3-7-13)12-26-19-20-17(15-8-4-10-24-15)18(21-22-19)16-9-5-11-25-16/h1-11H,12H2
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM78819
PNG
(3-cyclohexyl-N-[2-[(3R,6S)-6-[(4-methoxyphenyl)met...)
Show SMILES COc1ccc(C[C@H]2CN3[C@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1
Show InChI InChI=1S/C31H42N4O2/c1-37-29-15-12-26(13-16-29)21-28-23-35-27(20-25-10-6-3-7-11-25)22-33-31(35)34(28)19-18-32-30(36)17-14-24-8-4-2-5-9-24/h3,6-7,10-13,15-16,24,27-28H,2,4-5,8-9,14,17-23H2,1H3,(H,32,36)/t27-,28+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM34972
PNG
(MLS000759648 | N''-[(E)-(2,3-dihydroxy-4-oxo-1-cyc...)
Show SMILES Oc1ccc(C=NNC(=O)Cc2csc(n2)N2CCOCC2)c(O)c1O
Show InChI InChI=1S/C16H18N4O5S/c21-12-2-1-10(14(23)15(12)24)8-17-19-13(22)7-11-9-26-16(18-11)20-3-5-25-6-4-20/h1-2,8-9,21,23-24H,3-7H2,(H,19,22)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128130
PNG
(MLS000768477 | SMR000431798 | [(3Z)-3-(2-chloranyl...)
Show SMILES CCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C24H31ClNS.BrH/c1-4-5-6-9-16-26(2,3)17-10-12-20-21-11-7-8-13-23(21)27-24-15-14-19(25)18-22(20)24;/h7-8,11-15,18H,4-6,9-10,16-17H2,1-3H3;1H/q+1;/p-1/b20-12-;
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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 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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM61586
PNG
((4S)-1-benzyl-2-(benzylamino)-4-(3-fluorophenyl)-6...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1cccc(F)c1
Show InChI InChI=1S/C27H26FN3O2/c1-19-24(26(32)33-2)25(22-14-9-15-23(28)16-22)30-27(29-17-20-10-5-3-6-11-20)31(19)18-21-12-7-4-8-13-21/h3-16,25H,17-18H2,1-2H3,(H,29,30)/t25-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128153
PNG
(2-(ethylamino)-6-methyl-1-[4-(trifluoromethyl)benz...)
Show SMILES CCNC1=NC(C(C(=O)OC)=C(C)N1Cc1ccc(cc1)C(F)(F)F)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H23F6N3O2/c1-4-31-22-32-20(17-7-5-6-8-18(17)24(28,29)30)19(21(34)35-3)14(2)33(22)13-15-9-11-16(12-10-15)23(25,26)27/h5-12,20H,4,13H2,1-3H3,(H,31,32)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128167
PNG
(2-[(4-methoxyphenyl)methylamino]-6-methyl-4-[2-(tr...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCc2ccc(OC)cc2)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H27F6N3O3/c1-18-25(27(40)42-3)26(23-9-4-5-10-24(23)30(34,35)36)38-28(37-16-19-11-13-22(41-2)14-12-19)39(18)17-20-7-6-8-21(15-20)29(31,32)33/h4-15,26H,16-17H2,1-3H3,(H,37,38)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128172
PNG
(4-(3-chlorophenyl)-6-methyl-1-[4-(trifluoromethyl)...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccc(cc2)C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=NC1c1cccc(Cl)c1
Show InChI InChI=1S/C29H24ClF6N3O2/c1-17-24(26(40)41-2)25(19-7-5-8-22(30)14-19)38-27(37-15-20-6-3-4-9-23(20)29(34,35)36)39(17)16-18-10-12-21(13-11-18)28(31,32)33/h3-14,25H,15-16H2,1-2H3,(H,37,38)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128173
PNG
(4-(4-chlorophenyl)-6-methyl-1-[4-(trifluoromethyl)...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccc(cc2)C(F)(F)F)C(NCc2ccccc2C(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(37-15-20-5-3-4-6-23(20)29(34,35)36)39(17)16-18-7-11-21(12-8-18)28(31,32)33/h3-14,25H,15-16H2,1-2H3,(H,37,38)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128180
PNG
(2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-phe...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3OCOc3c2)=NC1c1ccccc1
Show InChI InChI=1S/C29H26F3N3O4/c1-18-25(27(36)37-2)26(20-8-4-3-5-9-20)34-28(33-15-19-12-13-23-24(14-19)39-17-38-23)35(18)16-21-10-6-7-11-22(21)29(30,31)32/h3-14,26H,15-17H2,1-2H3,(H,33,34)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128201
PNG
((S)-N-cyclohexyl-4-((1-((2,2-diphenylethyl)amino)-...)
Show SMILES CC(C)C[C@H](NC1(CCN(C)CC1)C(=O)NC1CCCCC1)C(=O)NCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C33H48N4O2/c1-25(2)23-30(31(38)34-24-29(26-13-7-4-8-14-26)27-15-9-5-10-16-27)36-33(19-21-37(3)22-20-33)32(39)35-28-17-11-6-12-18-28/h4-5,7-10,13-16,25,28-30,36H,6,11-12,17-24H2,1-3H3,(H,34,38)(H,35,39)/t30-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128136
PNG
(1-(2-naphthalenyloxy)-3-(1-phenylethylamino)-2-pro...)
Show SMILES CC(NCC(O)COc1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C21H23NO2.C2H2O4/c1-16(17-7-3-2-4-8-17)22-14-20(23)15-24-21-12-11-18-9-5-6-10-19(18)13-21;3-1(4)2(5)6/h2-13,16,20,22-23H,14-15H2,1H3;(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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128137
PNG
((6-methoxy-2-methyl-4-quinolyl)-[3-(trifluoromethy...)
Show SMILES COc1ccc2nc(C)cc(NCc3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C19H17F3N2O/c1-12-8-18(16-10-15(25-2)6-7-17(16)24-12)23-11-13-4-3-5-14(9-13)19(20,21)22/h3-10H,11H2,1-2H3,(H,23,24)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128141
PNG
(3-methoxy-N-[2-(4-phenylbutan-2-ylsulfamoyl)ethyl]...)
Show SMILES COc1cccc(c1)C(=O)NCCS(=O)(=O)NC(C)CCc1ccccc1
Show InChI InChI=1S/C20H26N2O4S/c1-16(11-12-17-7-4-3-5-8-17)22-27(24,25)14-13-21-20(23)18-9-6-10-19(15-18)26-2/h3-10,15-16,22H,11-14H2,1-2H3,(H,21,23)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM71524
PNG
(1-(decoxymethyl)-3-(phenylmethyl)benzimidazol-3-iu...)
Show SMILES CCCCCCCCCCOCn1c[n+](Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H35N2O/c1-2-3-4-5-6-7-8-14-19-28-22-27-21-26(20-23-15-10-9-11-16-23)24-17-12-13-18-25(24)27/h9-13,15-18,21H,2-8,14,19-20,22H2,1H3/q+1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM55833
PNG
(1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidene-cycloh...)
Show SMILES CC1(C)CC(=CC(C1)=[N+]1CCN(CC1)C(c1ccccc1)c1ccccc1)N1CCCCC1
Show InChI InChI=1S/C30H40N3/c1-30(2)23-27(31-16-10-5-11-17-31)22-28(24-30)32-18-20-33(21-19-32)29(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-4,6-9,12-15,22,29H,5,10-11,16-21,23-24H2,1-2H3/q+1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128143
PNG
(3-[(2-methoxyphenyl)-(phenylmethyl)sulfamoyl]-N-(2...)
Show SMILES COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(c1)C(=O)NC1CC(C)(C)NC(C)(C)C1
Show InChI InChI=1S/C30H37N3O4S/c1-29(2)19-24(20-30(3,4)32-29)31-28(34)23-14-11-15-25(18-23)38(35,36)33(21-22-12-7-6-8-13-22)26-16-9-10-17-27(26)37-5/h6-18,24,32H,19-21H2,1-5H3,(H,31,34)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128151
PNG
(2-N-benzyl-4-N-[(3-methoxyphenyl)methyl]thieno[3,2...)
Show SMILES COc1cccc(CNc2nc(NCc3ccccc3)nc3ccsc23)c1
Show InChI InChI=1S/C21H20N4OS/c1-26-17-9-5-8-16(12-17)14-22-20-19-18(10-11-27-19)24-21(25-20)23-13-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3,(H2,22,23,24,25)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128154
PNG
(2-(allylamino)-6-methyl-1-[4-(trifluoromethyl)benz...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccc(cc2)C(F)(F)F)C(NCC=C)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C25H23F6N3O2/c1-4-13-32-23-33-21(18-7-5-6-8-19(18)25(29,30)31)20(22(35)36-3)15(2)34(23)14-16-9-11-17(12-10-16)24(26,27)28/h4-12,21H,1,13-14H2,2-3H3,(H,32,33)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128162
PNG
(2-(cyclopropylmethylamino)-6-methyl-1-[3-(trifluor...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCC2CC2)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H25F6N3O2/c1-15-21(23(36)37-2)22(19-8-3-4-9-20(19)26(30,31)32)34-24(33-13-16-10-11-16)35(15)14-17-6-5-7-18(12-17)25(27,28)29/h3-9,12,16,22H,10-11,13-14H2,1-2H3,(H,33,34)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128163
PNG
(2-(benzylamino)-6-methyl-1-[3-(trifluoromethyl)ben...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCc2ccccc2)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C29H25F6N3O2/c1-18-24(26(39)40-2)25(22-13-6-7-14-23(22)29(33,34)35)37-27(36-16-19-9-4-3-5-10-19)38(18)17-20-11-8-12-21(15-20)28(30,31)32/h3-15,25H,16-17H2,1-2H3,(H,36,37)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128174
PNG
(4-(4-fluorophenyl)-6-methyl-1-[4-(trifluoromethyl)...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccc(cc2)C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=NC1c1ccc(F)cc1
Show InChI InChI=1S/C29H24F7N3O2/c1-17-24(26(40)41-2)25(19-9-13-22(30)14-10-19)38-27(37-15-20-5-3-4-6-23(20)29(34,35)36)39(17)16-18-7-11-21(12-8-18)28(31,32)33/h3-14,25H,15-16H2,1-2H3,(H,37,38)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128181
PNG
(2-[(4-methoxyphenyl)methylamino]-6-methyl-4-phenyl...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=NC1c1ccccc1
Show InChI InChI=1S/C29H28F3N3O3/c1-19-25(27(36)38-3)26(21-9-5-4-6-10-21)34-28(33-17-20-13-15-23(37-2)16-14-20)35(19)18-22-11-7-8-12-24(22)29(30,31)32/h4-16,26H,17-18H2,1-3H3,(H,33,34)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128182
PNG
(2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-chlorophe...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3OCOc3c2)=NC1c1cccc(Cl)c1
Show InChI InChI=1S/C29H25ClF3N3O4/c1-17-25(27(37)38-2)26(19-7-5-8-21(30)13-19)35-28(34-14-18-10-11-23-24(12-18)40-16-39-23)36(17)15-20-6-3-4-9-22(20)29(31,32)33/h3-13,26H,14-16H2,1-2H3,(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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM26113
PNG
(2,4 PDCA | cid_10365 | pyridine carboxylate, 6a | ...)
Show SMILES OC(=O)c1ccnc(c1)C(O)=O
Show InChI InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM33090
PNG
((4E)-4-[[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)a...)
Show SMILES CCN=c1scc(C)n1N=Cc1ccc(O)c(O)c1O
Show InChI InChI=1S/C13H15N3O3S/c1-3-14-13-16(8(2)7-20-13)15-6-9-4-5-10(17)12(19)11(9)18/h4-7,17-19H,3H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM40697
PNG
(4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1,2...)
Show SMILES Oc1ccc(cc1O)-c1cn2CCSc2n1
Show InChI InChI=1S/C11H10N2O2S/c14-9-2-1-7(5-10(9)15)8-6-13-3-4-16-11(13)12-8/h1-2,5-6,14-15H,3-4H2
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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 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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM51911
PNG
((4-isopropoxybenzyl)-[3-(2-methoxyphenyl)-3-(4-met...)
Show SMILES COc1ccc(cc1)C(CCNCc1ccc(OC(C)C)cc1)c1ccccc1OC
Show InChI InChI=1S/C27H33NO3/c1-20(2)31-24-13-9-21(10-14-24)19-28-18-17-25(22-11-15-23(29-3)16-12-22)26-7-5-6-8-27(26)30-4/h5-16,20,25,28H,17-19H2,1-4H3
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM55058
PNG
(2,6,7-trihydroxy-9-(2-nitrophenyl)-3-xanthenone | ...)
Show SMILES Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O
Show InChI InChI=1S/C19H11NO7/c21-13-5-10-17(7-15(13)23)27-18-8-16(24)14(22)6-11(18)19(10)9-3-1-2-4-12(9)20(25)26/h1-8,21-23H
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128139
PNG
((5S)-1-heptyl-5-(2-methylpropyl)-N-phenyl-4,5-dihy...)
Show SMILES CCCCCCCN1[C@@H](CC(C)C)CN=C1Nc1ccccc1
Show InChI InChI=1S/C20H33N3/c1-4-5-6-7-11-14-23-19(15-17(2)3)16-21-20(23)22-18-12-9-8-10-13-18/h8-10,12-13,17,19H,4-7,11,14-16H2,1-3H3,(H,21,22)/t19-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128150
PNG
(6-[[4-[1-amino-2-[4-(trifluoromethyl)phenyl]ethyl]...)
Show SMILES CCCCN(C)C(=O)c1ccc(Nc2nc(cs2)C(N)Cc2ccc(cc2)C(F)(F)F)nc1
Show InChI InChI=1S/C23H26F3N5OS/c1-3-4-11-31(2)21(32)16-7-10-20(28-13-16)30-22-29-19(14-33-22)18(27)12-15-5-8-17(9-6-15)23(24,25)26/h5-10,13-14,18H,3-4,11-12,27H2,1-2H3,(H,28,29,30)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128157
PNG
(6-methyl-1-[4-(trifluoromethyl)benzyl]-2-[[4-(trif...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccc(cc2)C(F)(F)F)C(NCc2ccc(cc2)C(F)(F)F)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H24F9N3O2/c1-17-24(26(43)44-2)25(22-5-3-4-6-23(22)30(37,38)39)41-27(40-15-18-7-11-20(12-8-18)28(31,32)33)42(17)16-19-9-13-21(14-10-19)29(34,35)36/h3-14,25H,15-16H2,1-2H3,(H,40,41)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128177
PNG
(4-(4-fluorophenyl)-2-[(4-methoxyphenyl)methylamino...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCc2ccc(OC)cc2)=NC1c1ccc(F)cc1
Show InChI InChI=1S/C29H27F4N3O3/c1-18-25(27(37)39-3)26(21-9-11-23(30)12-10-21)35-28(34-16-19-7-13-24(38-2)14-8-19)36(18)17-20-5-4-6-22(15-20)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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128185
PNG
(4-(3-fluorophenyl)-6-methyl-1-[2-(trifluoromethyl)...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(cc2)C(F)(F)F)=NC1c1cccc(F)c1
Show InChI InChI=1S/C29H24F7N3O2/c1-17-24(26(40)41-2)25(19-7-5-8-22(30)14-19)38-27(37-15-18-10-12-21(13-11-18)28(31,32)33)39(17)16-20-6-3-4-9-23(20)29(34,35)36/h3-14,25H,15-16H2,1-2H3,(H,37,38)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128188
PNG
(2-(benzylamino)-4-(4-chlorophenyl)-6-methyl-1-[2-(...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=NC1c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25ClF3N3O2/c1-18-24(26(36)37-2)25(20-12-14-22(29)15-13-20)34-27(33-16-19-8-4-3-5-9-19)35(18)17-21-10-6-7-11-23(21)28(30,31)32/h3-15,25H,16-17H2,1-2H3,(H,33,34)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM78811
PNG
(3-cyclohexyl-N-[2-[(3S,6S)-6-[(4-methoxyphenyl)met...)
Show SMILES COc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1
Show InChI InChI=1S/C31H42N4O2/c1-37-29-15-12-26(13-16-29)21-28-23-35-27(20-25-10-6-3-7-11-25)22-33-31(35)34(28)19-18-32-30(36)17-14-24-8-4-2-5-9-24/h3,6-7,10-13,15-16,24,27-28H,2,4-5,8-9,14,17-23H2,1H3,(H,32,36)/t27-,28-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128134
PNG
(2-(2-isopropyl-5-methyl-phenoxy)ethyl-phenethyl-am...)
Show SMILES CC(C)c1ccc(C)cc1OCCNCCc1ccccc1
Show InChI InChI=1S/C20H27NO.C2H2O4/c1-16(2)19-10-9-17(3)15-20(19)22-14-13-21-12-11-18-7-5-4-6-8-18;3-1(4)2(5)6/h4-10,15-16,21H,11-14H2,1-3H3;(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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM41891
PNG
(1-(3,4-dihydroxyphenyl)-2-(2-methyl-1-benzimidazol...)
Show SMILES Cc1nc2ccccc2n1CC(=O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H14N2O3/c1-10-17-12-4-2-3-5-13(12)18(10)9-16(21)11-6-7-14(19)15(20)8-11/h2-8,19-20H,9H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128147
PNG
(3-(6-benzoxypurin-9-yl)propyl-[(1R)-1-(1-naphthyl)...)
Show SMILES C[C@@H](NCCCn1cnc2c(OCc3ccccc3)ncnc12)c1cccc2ccccc12
Show InChI InChI=1S/C27H27N5O/c1-20(23-14-7-12-22-11-5-6-13-24(22)23)28-15-8-16-32-19-31-25-26(32)29-18-30-27(25)33-17-21-9-3-2-4-10-21/h2-7,9-14,18-20,28H,8,15-17H2,1H3/t20-/m1/s1
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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 Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128169
PNG
(6-methyl-1-[3-(trifluoromethyl)benzyl]-2-[[2-(trif...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H24F9N3O2/c1-17-24(26(43)44-2)25(21-11-4-6-13-23(21)30(37,38)39)41-27(40-15-19-9-3-5-12-22(19)29(34,35)36)42(17)16-18-8-7-10-20(14-18)28(31,32)33/h3-14,25H,15-16H2,1-2H3,(H,40,41)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128179
PNG
(6-methyl-4-phenyl-1-[2-(trifluoromethyl)benzyl]-2-...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(cc2)C(F)(F)F)=NC1c1ccccc1
Show InChI InChI=1S/C29H25F6N3O2/c1-18-24(26(39)40-2)25(20-8-4-3-5-9-20)37-27(36-16-19-12-14-22(15-13-19)28(30,31)32)38(18)17-21-10-6-7-11-23(21)29(33,34)35/h3-15,25H,16-17H2,1-2H3,(H,36,37)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128126
PNG
(MLS000666802 | N-[2-[2-(2-tert-butyl-4-chloranyl-p...)
Show SMILES CC(C)(C)c1cc(Cl)ccc1OCCOCCNCC=C
Show InChI InChI=1S/C17H26ClNO2.C2H2O4/c1-5-8-19-9-10-20-11-12-21-16-7-6-14(18)13-15(16)17(2,3)4;3-1(4)2(5)6/h5-7,13,19H,1,8-12H2,2-4H3;(H,3,4)(H,5,6)
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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 Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM34883
PNG
(5-[2-keto-2-(2,3,4-trihydroxyphenyl)ethyl]furan-2-...)
Show SMILES CCOC(=O)c1ccc(CC(=O)c2ccc(O)c(O)c2O)o1
Show InChI InChI=1S/C15H14O7/c1-2-21-15(20)12-6-3-8(22-12)7-11(17)9-4-5-10(16)14(19)13(9)18/h3-6,16,18-19H,2,7H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128129
PNG
(1-[(4-Ethyl-phenylcarbamoyl)-methyl]-3-p-tolyl-6,7...)
Show SMILES CCc1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3CCCc23)cc1
Show InChI InChI=1S/C23H25N3O.ClH/c1-3-18-8-12-20(13-9-18)24-22(27)16-25-15-21(26-14-4-5-23(25)26)19-10-6-17(2)7-11-19;/h6-13,15H,3-5,14,16H2,1-2H3;1H
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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 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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128138
PNG
(5-[3-[(5E)-2,4-bis(oxidanylidene)-5-(phenylmethyli...)
Show SMILES OC(=O)c1cc(NC(=O)CCN2C(=O)S\C(=C\c3ccccc3)C2=O)ccc1O
Show InChI InChI=1S/C20H16N2O6S/c23-15-7-6-13(11-14(15)19(26)27)21-17(24)8-9-22-18(25)16(29-20(22)28)10-12-4-2-1-3-5-12/h1-7,10-11,23H,8-9H2,(H,21,24)(H,26,27)/b16-10+
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128145
PNG
(IK-IK | MLS000562611 | SMR000391075 | cid_25102316)
Show SMILES CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)C(C)CC
Show InChI InChI=1S/C46H80N18O5.ClH/c1-6-26-67-28-30-69-31-29-68-27-17-51-44-52-45(61-22-18-59(19-23-61)42(65)38(13-9-11-15-47)63-32-36(55-57-63)40(49)34(4)7-2)54-46(53-44)62-24-20-60(21-25-62)43(66)39(14-10-12-16-48)64-33-37(56-58-64)41(50)35(5)8-3;/h1,32-35,38-41H,7-31,47-50H2,2-5H3,(H,51,52,53,54);1H/t34?,35?,38-,39-,40-,41-;/m0./s1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM79395
PNG
((5R)-1-[[(2S)-1-[(2S)-2-[(4R)-2-azanylidene-4-[(2R...)
Show SMILES CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2[C@@H](CN=C2N)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H47Cl2N7/c1-6-20(4)27-18-37(29(33)36(27)13-11-22-9-10-24(30)25(31)14-22)21(5)16-35-12-7-8-23(35)17-38-26(19(2)3)15-34-28(38)32/h9-10,14,19-21,23,26-27,33H,6-8,11-13,15-18H2,1-5H3,(H2,32,34)/t20-,21+,23+,26+,27+/m1/s1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128148
PNG
(2-(2-chlorophenoxy)ethyl-[2-(isopropylamino)-6-phe...)
Show SMILES CC(C)Nc1nc(NCCOc2ccccc2Cl)c2sc(cc2n1)-c1ccccc1
Show InChI InChI=1S/C23H23ClN4OS/c1-15(2)26-23-27-18-14-20(16-8-4-3-5-9-16)30-21(18)22(28-23)25-12-13-29-19-11-7-6-10-17(19)24/h3-11,14-15H,12-13H2,1-2H3,(H2,25,26,27,28)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128155
PNG
(2-(cyclopropylmethylamino)-6-methyl-1-[4-(trifluor...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccc(cc2)C(F)(F)F)C(NCC2CC2)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C26H25F6N3O2/c1-15-21(23(36)37-2)22(19-5-3-4-6-20(19)26(30,31)32)34-24(33-13-16-7-8-16)35(15)14-17-9-11-18(12-10-17)25(27,28)29/h3-6,9-12,16,22H,7-8,13-14H2,1-2H3,(H,33,34)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128156
PNG
(6-methyl-1-[4-(trifluoromethyl)benzyl]-2-[[3-(trif...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccc(cc2)C(F)(F)F)C(NCc2cccc(c2)C(F)(F)F)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H24F9N3O2/c1-17-24(26(43)44-2)25(22-8-3-4-9-23(22)30(37,38)39)41-27(40-15-19-6-5-7-21(14-19)29(34,35)36)42(17)16-18-10-12-20(13-11-18)28(31,32)33/h3-14,25H,15-16H2,1-2H3,(H,40,41)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128158
PNG
(2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-[2-...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccc(cc2)C(F)(F)F)C(NCc2ccc3OCOc3c2)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H25F6N3O4/c1-17-25(27(40)41-2)26(21-5-3-4-6-22(21)30(34,35)36)38-28(37-14-19-9-12-23-24(13-19)43-16-42-23)39(17)15-18-7-10-20(11-8-18)29(31,32)33/h3-13,26H,14-16H2,1-2H3,(H,37,38)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128164
PNG
(6-methyl-1-[3-(trifluoromethyl)benzyl]-2-[[3-(trif...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCc2cccc(c2)C(F)(F)F)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H24F9N3O2/c1-17-24(26(43)44-2)25(22-11-3-4-12-23(22)30(37,38)39)41-27(40-15-18-7-5-9-20(13-18)28(31,32)33)42(17)16-19-8-6-10-21(14-19)29(34,35)36/h3-14,25H,15-16H2,1-2H3,(H,40,41)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128165
PNG
(6-methyl-1-[3-(trifluoromethyl)benzyl]-2-[[4-(trif...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCc2ccc(cc2)C(F)(F)F)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H24F9N3O2/c1-17-24(26(43)44-2)25(22-8-3-4-9-23(22)30(37,38)39)41-27(40-15-18-10-12-20(13-11-18)28(31,32)33)42(17)16-19-6-5-7-21(14-19)29(34,35)36/h3-14,25H,15-16H2,1-2H3,(H,40,41)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128175
PNG
(4-(3-fluorophenyl)-6-methyl-1-[3-(trifluoromethyl)...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=NC1c1cccc(F)c1
Show InChI InChI=1S/C29H24F7N3O2/c1-17-24(26(40)41-2)25(19-9-6-11-22(30)14-19)38-27(37-15-20-8-3-4-12-23(20)29(34,35)36)39(17)16-18-7-5-10-21(13-18)28(31,32)33/h3-14,25H,15-16H2,1-2H3,(H,37,38)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128184
PNG
(2-(benzylamino)-4-(3-fluorophenyl)-6-methyl-1-[2-(...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccccc2)=NC1c1cccc(F)c1
Show InChI InChI=1S/C28H25F4N3O2/c1-18-24(26(36)37-2)25(20-12-8-13-22(29)15-20)34-27(33-16-19-9-4-3-5-10-19)35(18)17-21-11-6-7-14-23(21)28(30,31)32/h3-15,25H,16-17H2,1-2H3,(H,33,34)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128186
PNG
(2-(1,3-benzodioxol-5-ylmethylamino)-4-(3-fluorophe...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc3OCOc3c2)=NC1c1cccc(F)c1
Show InChI InChI=1S/C29H25F4N3O4/c1-17-25(27(37)38-2)26(19-7-5-8-21(30)13-19)35-28(34-14-18-10-11-23-24(12-18)40-16-39-23)36(17)15-20-6-3-4-9-22(20)29(31,32)33/h3-13,26H,14-16H2,1-2H3,(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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128187
PNG
(4-(3-fluorophenyl)-2-[(4-methoxyphenyl)methylamino...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=NC1c1cccc(F)c1
Show InChI InChI=1S/C29H27F4N3O3/c1-18-25(27(37)39-3)26(20-8-6-9-22(30)15-20)35-28(34-16-19-11-13-23(38-2)14-12-19)36(18)17-21-7-4-5-10-24(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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM41946
PNG
(3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)-N-(phe...)
Show SMILES Cc1cc(Cl)c(OCCCNCc2ccccc2)c(Br)c1
Show InChI InChI=1S/C17H19BrClNO/c1-13-10-15(18)17(16(19)11-13)21-9-5-8-20-12-14-6-3-2-4-7-14/h2-4,6-7,10-11,20H,5,8-9,12H2,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128127
PNG
(2-(4-chlorobenzyl)-1-cyclohexyl-3-phenyl-guanidine...)
Show SMILES Clc1ccc(C\N=C(\NC2CCCCC2)Nc2ccccc2)cc1
Show InChI InChI=1S/C20H24ClN3/c21-17-13-11-16(12-14-17)15-22-20(23-18-7-3-1-4-8-18)24-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,19H,2,5-6,9-10,15H2,(H2,22,23,24)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM54822
PNG
(3-bromanyl-N-[(2S)-1-[(3S,6S)-6-[(4-methoxyphenyl)...)
Show SMILES COc1ccc(C[C@H]2CN3[C@H](CN=C3N2C[C@H](C)NC(=O)c2ccc(C)c(Br)c2)C(C)C)cc1
Show InChI InChI=1S/C27H35BrN4O2/c1-17(2)25-14-29-27-31(15-19(4)30-26(33)21-9-6-18(3)24(28)13-21)22(16-32(25)27)12-20-7-10-23(34-5)11-8-20/h6-11,13,17,19,22,25H,12,14-16H2,1-5H3,(H,30,33)/t19-,22-,25+/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128140
PNG
(MLS001239292 | N-[3-(dimethylamino)propyl]-4-[ethy...)
Show SMILES CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2c(C)cccc2s1
Show InChI InChI=1S/C28H32N4O3S2.ClH/c1-5-32(23-12-7-6-8-13-23)37(34,35)24-17-15-22(16-18-24)27(33)31(20-10-19-30(3)4)28-29-26-21(2)11-9-14-25(26)36-28;/h6-9,11-18H,5,10,19-20H2,1-4H3;1H
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128152
PNG
((2S,3S,4R,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3,4...)
Show SMILES COc1cccc(CN(C)C(=O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2[nH]c(N)nc3=O)c1
Show InChI InChI=1S/C19H22N6O6/c1-24(7-9-4-3-5-10(6-9)30-2)17(29)14-12(26)13(27)18(31-14)25-8-21-11-15(25)22-19(20)23-16(11)28/h3-6,8,12-14,18,26-27H,7H2,1-2H3,(H3,20,22,23,28)/t12-,13+,14-,18+/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128166
PNG
(2-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-4-[2-...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCc2ccc3OCOc3c2)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H25F6N3O4/c1-17-25(27(40)41-2)26(21-8-3-4-9-22(21)30(34,35)36)38-28(37-14-18-10-11-23-24(13-18)43-16-42-23)39(17)15-19-6-5-7-20(12-19)29(31,32)33/h3-13,26H,14-16H2,1-2H3,(H,37,38)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128176
PNG
(2-(allylamino)-4-(3-fluorophenyl)-6-methyl-1-[3-(t...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCC=C)=NC1c1cccc(F)c1
Show InChI InChI=1S/C24H23F4N3O2/c1-4-11-29-23-30-21(17-8-6-10-19(25)13-17)20(22(32)33-3)15(2)31(23)14-16-7-5-9-18(12-16)24(26,27)28/h4-10,12-13,21H,1,11,14H2,2-3H3,(H,29,30)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128178
PNG
(6-methyl-4-(2-phenylethyl)-1-[[3-(trifluoromethyl)...)
Show SMILES COC(=O)C1=C(C)N(Cc2cccc(c2)C(F)(F)F)C(NCc2cc(OC)c(OC)c(OC)c2)=NC1CCc1ccccc1
Show InChI InChI=1S/C33H36F3N3O5/c1-21-29(31(40)44-5)26(15-14-22-10-7-6-8-11-22)38-32(39(21)20-23-12-9-13-25(16-23)33(34,35)36)37-19-24-17-27(41-2)30(43-4)28(18-24)42-3/h6-13,16-18,26H,14-15,19-20H2,1-5H3,(H,37,38)
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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 Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM64782
PNG
((6E)-6-[[2-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hy...)
Show SMILES Oc1ccccc1CN=Nc1cc(nc(n1)N1CCCC1)N1CCCC1
Show InChI InChI=1S/C19H24N6O/c26-16-8-2-1-7-15(16)14-20-23-17-13-18(24-9-3-4-10-24)22-19(21-17)25-11-5-6-12-25/h1-2,7-8,13,26H,3-6,9-12,14H2
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM23412
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H...)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM62142
PNG
((4S)-1-benzyl-2-(2-methoxyethylamino)-6-methyl-4-[...)
Show SMILES COCCNC1=N[C@H](C(C(=O)OC)=C(C)N1Cc1ccccc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H26F3N3O3/c1-16-20(22(31)33-3)21(18-10-7-11-19(14-18)24(25,26)27)29-23(28-12-13-32-2)30(16)15-17-8-5-4-6-9-17/h4-11,14,21H,12-13,15H2,1-3H3,(H,28,29)/t21-/m0/s1
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128159
PNG
(2-[(4-methoxyphenyl)methylamino]-6-methyl-4-[2-(tr...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccc(cc2)C(F)(F)F)C(NCc2ccc(OC)cc2)=NC1c1ccccc1C(F)(F)F
Show InChI InChI=1S/C30H27F6N3O3/c1-18-25(27(40)42-3)26(23-6-4-5-7-24(23)30(34,35)36)38-28(37-16-19-10-14-22(41-2)15-11-19)39(18)17-20-8-12-21(13-9-20)29(31,32)33/h4-15,26H,16-17H2,1-3H3,(H,37,38)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128170
PNG
(4-(3-fluorophenyl)-1,6-dimethyl-2-[[2-(trifluorome...)
Show SMILES COC(=O)C1=C(C)N(C)C(NCc2ccccc2C(F)(F)F)=NC1c1cccc(F)c1
Show InChI InChI=1S/C22H21F4N3O2/c1-13-18(20(30)31-3)19(14-8-6-9-16(23)11-14)28-21(29(13)2)27-12-15-7-4-5-10-17(15)22(24,25)26/h4-11,19H,12H2,1-3H3,(H,27,28)
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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 Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128171
PNG
(6-methyl-4-phenyl-1-[4-(trifluoromethyl)benzyl]-2-...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccc(cc2)C(F)(F)F)C(NCc2ccccc2C(F)(F)F)=NC1c1ccccc1
Show InChI InChI=1S/C29H25F6N3O2/c1-18-24(26(39)40-2)25(20-8-4-3-5-9-20)37-27(36-16-21-10-6-7-11-23(21)29(33,34)35)38(18)17-19-12-14-22(15-13-19)28(30,31)32/h3-15,25H,16-17H2,1-2H3,(H,36,37)
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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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
Trypanosoma brucei RNA editing ligase 1


(Trypanosoma brucei brucei)
BDBM128183
PNG
(4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methylamino...)
Show SMILES COC(=O)C1=C(C)N(Cc2ccccc2C(F)(F)F)C(NCc2ccc(OC)cc2)=NC1c1cccc(Cl)c1
Show InChI InChI=1S/C29H27ClF3N3O3/c1-18-25(27(37)39-3)26(20-8-6-9-22(30)15-20)35-28(34-16-19-11-13-23(38-2)14-12-19)36(18)17-21-7-4-5-10-24(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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
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

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)


BindingDB Entry DOI: 10.7270/Q2P26WT9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%