Detailed information for compound 1175860

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 739.923 | Formula: C41H49N5O6S
  • H donors: 4 H acceptors: 6 LogP: 4.52 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC([C@@H](NC(=O)c1cc(cc(c1)N(S(=O)(=O)C)C)C(=O)N[C@@H](c1ccccc1)C)Cc1ccccc1)C(=O)NCC1CCN(CC1)Cc1ccccc1
  • InChi: 1S/C41H49N5O6S/c1-29(33-17-11-6-12-18-33)43-39(48)34-24-35(26-36(25-34)45(2)53(3,51)52)40(49)44-37(23-30-13-7-4-8-14-30)38(47)41(50)42-27-31-19-21-46(22-20-31)28-32-15-9-5-10-16-32/h4-18,24-26,29,31,37-38,47H,19-23,27-28H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/t29-,37+,38?/m1/s1
  • InChiKey: LRSVPGZOJKOJCB-BDFDYLDISA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens beta-site APP-cleaving enzyme 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07747 beta-site APP-cleaving enzyme 2 (memapsin 1) [EC3.4.23.45], putative Get druggable targets OG5_135830 All targets in OG5_135830
Schistosoma mansoni memapsin-2 (A01 family) Get druggable targets OG5_135830 All targets in OG5_135830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum plasmepsin VII beta-site APP-cleaving enzyme 1 401 aa 352 aa 21.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) mbt repeat family protein 0.0054 0.0623 0.0638
Schistosoma mansoni terminal deoxycytidyl transferase 0.0124 0.2036 0.1773
Mycobacterium leprae Probable lipase LipE 0.004 0.0359 0.1266
Echinococcus multilocularis dna polymerase eta 0.0182 0.3206 0.3329
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0519 0.0695
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.2819 0.4363
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0359 0.0758
Trichomonas vaginalis set domain proteins, putative 0.0509 0.9755 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0359 0.0335
Echinococcus multilocularis muscleblind protein 1 0.046 0.8773 0.9839
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 0.6461 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0164 0.2836 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0124 0.2036 0.1773
Trypanosoma brucei DNA polymerase kappa, putative 0.0154 0.2645 0.4093
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0319 0.0494
Echinococcus granulosus geminin 0.0388 0.733 0.8151
Brugia malayi beta-lactamase family protein 0.004 0.0359 0.0335
Schistosoma mansoni ap endonuclease 0.0042 0.0383 0.0066
Schistosoma mansoni hypothetical protein 0.0388 0.733 0.7242
Toxoplasma gondii exonuclease III APE 0.0042 0.0383 0.202
Trypanosoma cruzi DNA polymerase eta, putative 0.0097 0.1489 0.2214
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0061 0.0772 0.0483
Toxoplasma gondii hypothetical protein 0.0056 0.0662 0.3494
Trypanosoma brucei DNA polymerase kappa, putative 0.0154 0.2645 0.4093
Trypanosoma cruzi DNA polymerase eta, putative 0.0182 0.3206 0.4902
Loa Loa (eye worm) hypothetical protein 0.004 0.0359 0.0335
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0061 0.0772 0.0809
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0075 0.0877
Mycobacterium ulcerans lipase LipD 0.004 0.0359 0.0618
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0065 0.0856 0.0581
Loa Loa (eye worm) hypothetical protein 0.0182 0.3206 0.3605
Loa Loa (eye worm) hypothetical protein 0.004 0.0359 0.0335
Mycobacterium leprae conserved hypothetical protein 0.004 0.0359 0.1266
Trypanosoma cruzi DNA damage repair protein, putative 0.0038 0.0319 0.0382
Mycobacterium tuberculosis Conserved hypothetical protein 0.0181 0.3189 0.6732
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0359 0.0041
Brugia malayi mbt repeat family protein 0.0054 0.0623 0.0638
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0319 0.0382
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0336 0.628 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.628 0.6301
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.0383 0.0028
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0042 0.0383 0.0659
Brugia malayi Muscleblind-like protein 0.046 0.8773 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0154 0.2645 0.4024
Echinococcus multilocularis dna polymerase kappa 0.0154 0.2645 0.2673
Trichomonas vaginalis glutaminase, putative 0.0312 0.5805 0.5796
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0359 0.0335
Trypanosoma brucei DNA polymerase kappa, putative 0.0154 0.2645 0.4093
Loa Loa (eye worm) MBCTL1 0.0061 0.0772 0.0809
Mycobacterium tuberculosis Conserved protein 0.004 0.0359 0.0758
Brugia malayi Pre-SET motif family protein 0.0447 0.8519 0.9708
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0054 0.0623 0.0281
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0132 0.2187 0.4617
Onchocerca volvulus 0.0065 0.0856 0.0529
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.628 0.6301
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0 0.5
Echinococcus multilocularis L aminoadipate semialdehyde 0.008 0.1158 0.0935
Echinococcus granulosus dnaJ subfamily B 0.0467 0.8911 1
Brugia malayi ImpB/MucB/SamB family protein 0.0182 0.3206 0.3605
Loa Loa (eye worm) hypothetical protein 0.004 0.0359 0.0335
Echinococcus granulosus muscleblind protein 0.046 0.8773 0.9839
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0124 0.2036 0.1961
Trypanosoma brucei DNA damage repair protein, putative 0.0038 0.0319 0.0494
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0075 0.0116
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0124 0.2036 0.1961
Trypanosoma brucei DNA polymerase kappa, putative 0.0154 0.2645 0.4093
Trypanosoma cruzi DNA damage repair protein, putative 0.0038 0.0319 0.0382
Echinococcus granulosus endonuclease exonuclease phosphatase 0.022 0.3957 0.4207
Trichomonas vaginalis DNA polymerase eta, putative 0.0154 0.2645 0.2433
Trypanosoma brucei DNA polymerase kappa, putative 0.0132 0.2187 0.3385
Leishmania major DNA polymerase eta, putative 0.0097 0.1489 0.2305
Echinococcus granulosus dna polymerase eta 0.0182 0.3206 0.3329
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0319 0.1685
Trypanosoma brucei DNA polymerase IV, putative 0.0154 0.2645 0.4093
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0359 0.0445
Onchocerca volvulus 0.0061 0.0761 0.0428
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0.0383 1
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0359 0.0556
Schistosoma mansoni DNA polymerase eta 0.0182 0.3206 0.2982
Loa Loa (eye worm) hypothetical protein 0.046 0.8773 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0124 0.2036 0.4298
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.628 0.6301
Echinococcus multilocularis polycomb protein SCMH1 0.0054 0.0623 0.0309
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0856 0.0555
Loa Loa (eye worm) hypothetical protein 0.0054 0.0623 0.0638
Trypanosoma brucei DNA polymerase kappa, putative 0.0154 0.2645 0.4093
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0042 0.0383 0.0482
Giardia lamblia DINP protein human, muc B family 0.0132 0.2187 0.3133
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.0928 0.1436
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.0519 0.0695
Echinococcus granulosus histone acetyltransferase MYST2 0.0061 0.0772 0.0483
Brugia malayi CXXC zinc finger family protein 0.0061 0.0761 0.0796
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.1414 0.2189
Toxoplasma gondii ABC1 family protein 0.004 0.0359 0.1895
Mycobacterium ulcerans DNA polymerase IV 0.0154 0.2645 0.4556
Schistosoma mansoni ap endonuclease 0.0042 0.0383 0.0066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0856 0.0555
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.1414 0.2189
Loa Loa (eye worm) beta-lactamase 0.004 0.0359 0.0335
Mycobacterium ulcerans hypothetical protein 0.0181 0.3189 0.5493
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0359 0.0758
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.0383 0.0362
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.2819 0.4297
Echinococcus multilocularis SAM and MBT domain containing protein 0.0054 0.0623 0.0309
Trypanosoma brucei DNA polymerase kappa, putative 0.0093 0.1414 0.2189
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0132 0.2187 0.3385
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0124 0.2036 0.2261
Loa Loa (eye worm) hypothetical protein 0.004 0.0359 0.0335
Loa Loa (eye worm) glutaminase 0.0312 0.5805 0.6591
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0065 0.0856 0.452
Schistosoma mansoni myelin transcription factor 1 myt1 0.0061 0.0772 0.0468
Mycobacterium ulcerans glutaminase 0.0312 0.5805 1
Echinococcus granulosus dna polymerase kappa 0.0154 0.2645 0.2673
Schistosoma mansoni cpg binding protein 0.0061 0.0761 0.0456
Leishmania major hypothetical protein, conserved 0.004 0.0359 0.0556
Leishmania major DNA polymerase kappa, putative 0.0132 0.2187 0.3385
Loa Loa (eye worm) hypothetical protein 0.046 0.8773 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0154 0.2645 0.4093
Mycobacterium ulcerans hypothetical protein 0.0038 0.0319 0.055
Mycobacterium tuberculosis Conserved protein 0.004 0.0359 0.0758
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0164 0.2836 0.5987
Plasmodium vivax hypothetical protein, conserved 0.004 0.0359 0.4193
Leishmania major DNA polymerase eta, putative 0.0182 0.3206 0.4962
Echinococcus multilocularis geminin 0.0388 0.733 0.8151
Onchocerca volvulus 0.0054 0.0623 0.0281
Mycobacterium ulcerans hypothetical protein 0.004 0.0359 0.0618
Trypanosoma cruzi DNA polymerase kappa, putative 0.0154 0.2645 0.4024
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0359 0.0758
Trypanosoma brucei unspecified product 0.0086 0.1263 0.1955
Trypanosoma brucei DNA damage repair protein, putative 0.0038 0.0319 0.0494
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.0519 0.0803
Echinococcus multilocularis muscleblind protein 0.046 0.8773 0.9839
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.628 0.6301
Echinococcus granulosus SAM and MBT domain containing protein 0.0054 0.0623 0.0309
Treponema pallidum fructose-bisphosphate aldolase 0.0336 0.628 1
Plasmodium vivax DNA repair protein REV1, putative 0.0038 0.0319 0.3728
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0359 0.0758
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0336 0.628 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.628 0.6301
Mycobacterium ulcerans beta-lactamase 0.004 0.0359 0.0618
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0519 0.0695
Brugia malayi mbt repeat family protein 0.0054 0.0623 0.0638
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0359 0.0618
Treponema pallidum exodeoxyribonuclease (exoA) 0.0042 0.0383 0.0609
Loa Loa (eye worm) hypothetical protein 0.008 0.1158 0.1253
Brugia malayi ImpB/MucB/SamB family protein 0.0124 0.2036 0.2261
Toxoplasma gondii histone lysine methyltransferase SET1 0.0117 0.1894 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.628 0.6301
Echinococcus multilocularis cpg binding protein 0.0064 0.083 0.0551
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0065 0.0856 0.0581
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0059 0.0732 0.1028
Schistosoma mansoni cpg binding protein 0.0064 0.083 0.0528
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0065 0.0856 0.0555
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0163 0.2819 0.4363
Trypanosoma brucei unspecified product 0.0147 0.2494 0.3859
Trypanosoma brucei DNA polymerase IV, putative 0.0147 0.2494 0.3859
Trypanosoma cruzi DNA polymerase kappa, putative 0.0154 0.2645 0.4024
Trypanosoma brucei DNA polymerase IV, putative 0.0154 0.2645 0.4093
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0359 0.0335
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0447 0.8519 0.9708
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.022 0.3957 0.4207
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0359 0.0758
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0054 0.0623 0.0314
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.628 0.6301
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0065 0.0856 0.0555
Schistosoma mansoni hypothetical protein 0.0467 0.8911 0.8875
Schistosoma mansoni glutaminase 0.0312 0.5805 0.5667
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0345 0.6461 1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0359 0.0445
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0319 0.0494
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0359 0.0041
Echinococcus granulosus L aminoadipate semialdehyde 0.008 0.1158 0.0935
Loa Loa (eye worm) hypothetical protein 0.0026 0.0075 0.0008
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.0383 0.0362
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0623 0.0314
Mycobacterium ulcerans DNA polymerase IV 0.0154 0.2645 0.4556
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0383 0.0025
Echinococcus granulosus cpg binding protein 0.0064 0.083 0.0551
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0042 0.0383 0.0106
Echinococcus multilocularis dnaJ subfamily B 0.0467 0.8911 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0154 0.2645 0.4093
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0164 0.2836 0.4885
Trypanosoma brucei unspecified product 0.0086 0.1263 0.1955
Entamoeba histolytica deoxycytidyl transferase, putative 0.0124 0.2036 0.3242
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0046 0.047 0.2482
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0042 0.0383 0.0482
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0383 0.0025
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0042 0.0383 0.0592
Schistosoma mansoni hypothetical protein 0.0388 0.733 0.7242
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0359 0.0618
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0259 0.4737 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.0383 0.0028
Schistosoma mansoni hypothetical protein 0.0334 0.6258 0.6135
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.0928 0.1436
Leishmania major DNA polymerase kappa, putative 0.0038 0.0319 0.0494
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0383 0.4469
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0097 0.1489 0.7861
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0336 0.628 0.6301
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0383 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0131 0.2169 0.1911
Trypanosoma brucei DNA polymerase kappa, putative 0.0154 0.2645 0.4093
Loa Loa (eye worm) hypothetical protein 0.004 0.0359 0.0335
Trypanosoma brucei DNA polymerase kappa, putative 0.0154 0.2645 0.4093
Brugia malayi beta-lactamase family protein 0.004 0.0359 0.0335
Trypanosoma cruzi DNA polymerase kappa, putative 0.0154 0.2645 0.4024
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0154 0.2645 0.2433
Loa Loa (eye worm) CXXC zinc finger family protein 0.0061 0.0761 0.0796
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0075 0.1964
Echinococcus multilocularis histone acetyltransferase MYST2 0.0061 0.0772 0.0483
Loa Loa (eye worm) hypothetical protein 0.0061 0.0772 0.0809
Mycobacterium tuberculosis Conserved protein 0.004 0.0359 0.0758
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0623 0.0314
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0042 0.0383 0.0592
Loa Loa (eye worm) hypothetical protein 0.0069 0.0928 0.0988
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.008 0.1158 0.0867
Leishmania major DNA damage repair protein, putative 0.0038 0.0319 0.0494
Brugia malayi beta-lactamase 0.004 0.0359 0.0335
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0075 0.1964
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0359 0.0758
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 0.6461 1
Onchocerca volvulus 0.008 0.1158 0.0851
Plasmodium vivax SET domain protein, putative 0.0065 0.0856 1
Plasmodium falciparum DNA repair protein REV1, putative 0.0038 0.0319 0.8342
Brugia malayi glutaminase DH11.1 0.0312 0.5805 0.6591
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0042 0.0383 0.0808
Echinococcus granulosus polycomb protein SCMH1 0.0054 0.0623 0.0309
Giardia lamblia Fructose-bisphosphate aldolase 0.0336 0.628 1
Schistosoma mansoni cpg binding protein 0.0064 0.083 0.0528
Leishmania major mitochondrial DNA polymerase beta 0.0345 0.6461 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0319 0.0382
Leishmania major hypothetical protein, conserved 0.0026 0.0075 0.0116
Loa Loa (eye worm) glutaminase 2 0.0312 0.5805 0.6591
Loa Loa (eye worm) hypothetical protein 0.0065 0.0856 0.0906
Brugia malayi Pre-SET motif family protein 0.0065 0.0856 0.0906
Onchocerca volvulus 0.0509 0.9755 1
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0359 0.0758
Brugia malayi hypothetical protein 0.0026 0.0075 0.0008
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0061 0.0772 0.0483
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0075 0.0397
Brugia malayi polk-prov protein 0.0069 0.0928 0.0988
Trypanosoma brucei chrX additional, unordered contigs 0.0038 0.0319 0.0494
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0042 0.0383 0.0609
Trypanosoma brucei DNA polymerase eta, putative 0.0182 0.3206 0.4962
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.008 0.1158 0.1253
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0062 0.0783 0.0495
Echinococcus granulosus histone lysine methyltransferase setb 0.0065 0.0856 0.0581

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) < 1 uM Inhibition of BACE1 in HEK293 cells transfected with human betaAPP695 mutant assessed as inhibition of amyloid beta (1 to 40) production after 24 hrs by ELISA ChEMBL. 19162488
Inhibition (binding) = 27.78 % Inhibition of human recombinant C-terminal histidine-tagged BACE1 expressed in baculovirus-infected insect cells at 50 ug/mL by FRET assay ChEMBL. 19162488
Inhibition (binding) = 55.32 % Inhibition of AChE in rat cortex at 25 uM preincubated for 20 mins by Ellman method ChEMBL. 19162488

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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