Detailed information for compound 1644516

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1844.2 | Formula: C84H130N32O14S
  • H donors: 24 H acceptors: 14 LogP: -4.59 Rotable bonds: 73
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@H](C(=O)NC(=N)NCCC[C@H](C(=O)N)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)CCCCCNCCNS(=O)(=O)c1cccc2c1ccnc2)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)c1cc(ccc1C1=C2C=CC(C=C2Oc2c1ccc(c2)N(C)C)N(C)C)C(=O)O
  • InChi: 1S/C84H130N32O14S/c1-115(2)51-28-31-55-65(46-51)130-66-47-52(116(3)4)29-32-56(66)69(55)54-30-27-49(78(126)127)45-57(54)71(119)109-60(18-7-8-34-85)77(125)114-84(97)105-41-11-19-58(70(86)118)108-73(121)61(21-13-37-101-80(89)90)111-75(123)63(23-15-39-103-82(93)94)113-76(124)64(24-16-40-104-83(95)96)112-74(122)62(22-14-38-102-81(91)92)110-72(120)59(20-12-36-100-79(87)88)107-68(117)26-6-5-9-35-98-43-44-106-131(128,129)67-25-10-17-50-48-99-42-33-53(50)67/h10,17,25,27-33,42,45-48,51,58-64,98,106H,5-9,11-16,18-24,26,34-41,43-44,85H2,1-4H3,(H2,86,118)(H,107,117)(H,108,121)(H,109,119)(H,110,120)(H,111,123)(H,112,122)(H,113,124)(H,126,127)(H4,87,88,100)(H4,89,90,101)(H4,91,92,102)(H4,93,94,103)(H4,95,96,104)(H3,97,105,114,125)/t51?,58-,59-,60-,61-,62-,63-,64-/m1/s1
  • InChiKey: UIWMVSPVUCYEJT-BCUHWZKVSA-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 protein kinase, cGMP-dependent, type I Starlite/ChEMBL References
Homo sapiens Rho-associated, coiled-coil containing protein kinase 2 Starlite/ChEMBL References
Homo sapiens ribosomal protein S6 kinase, 70kDa, polypeptide 1 Starlite/ChEMBL References
Homo sapiens ribosomal protein S6 kinase, 90kDa, polypeptide 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis cAMP-dependent protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus multilocularis rho associated protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Babesia bovis cGMP dependent protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus granulosus cGMP dependent protein kinase 1 Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_127599 All targets in OG5_127599
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_128437 All targets in OG5_128437
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_131020 All targets in OG5_131020
Trypanosoma congolense rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine threonine protein kinase nrc Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis ribosomal protein S6 kinase, 90kD, polypeptide, putative Get druggable targets OG5_128437 All targets in OG5_128437
Schistosoma japonicum ko:K07376 protein kinase, cGMP-dependent, putative Get druggable targets OG5_127599 All targets in OG5_127599
Neospora caninum Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Plasmodium vivax rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Toxoplasma gondii protein kinase G AGC kinase family member PKG Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus multilocularis cGMP dependent protein kinase 1 Get druggable targets OG5_127599 All targets in OG5_127599
Echinococcus multilocularis cGMP dependent protein kinase 1 Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Schistosoma japonicum cGMP-dependent protein kinase 2, putative Get druggable targets OG5_127599 All targets in OG5_127599
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Giardia lamblia Kinase, AGC PKA Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium falciparum RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/AKT protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Loa Loa (eye worm) AGC/RSK/P70 protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum expressed protein Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis cAMP-dependent protein kinase catalytic subunit, putative Get druggable targets OG5_128437 All targets in OG5_128437
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Schistosoma japonicum cGMP-dependent protein kinase, isozyme 1, putative Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus granulosus rho-associated protein kinase 1 Get druggable targets OG5_131020 All targets in OG5_131020
Plasmodium falciparum cGMP-dependent protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis serine/threonine-protein kinase ypk, putative Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis serine/threonine-protein kinase, putative Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Loa Loa (eye worm) AGC/RSK/MSK protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Plasmodium yoelii kinase Akt/PKB-related Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum cGMP-dependent protein kinase, isozyme 2 forms cD4/T1/T3A/T3B, putative Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus granulosus Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium knowlesi RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi p70 ribosomal S6 kinase beta Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K04456 RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Entamoeba histolytica protein kinase 2, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus calcium:calmodulin dependent protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum cGMP-dependent protein kinase, isozyme 1, putative Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Cryptosporidium hominis cGMP-dependent protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Plasmodium yoelii cGMP-dependent protein kinase-related Get druggable targets OG5_127599 All targets in OG5_127599
Trypanosoma brucei gambiense rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans likely protein kinase similar to S. cerevisiae YPK2 (YMR104C) Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis 3-phosphoinositide dependent protein kinase-1, putative Get druggable targets OG5_128437 All targets in OG5_128437
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium berghei cGMP-dependent protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Neospora caninum AGC kinase TgPKG1, putative Get druggable targets OG5_127599 All targets in OG5_127599
Schistosoma japonicum ko:K07390 monothiol glutaredoxin, putative Get druggable targets OG5_126635 All targets in OG5_126635
Toxoplasma gondii AGC kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi Protein kinase B Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase Get druggable targets OG5_131020 All targets in OG5_131020
Echinococcus granulosus serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum IPR002219,Protein kinase C, phorbol ester/diacylglycerol binding,domain-containing Get druggable targets OG5_131020 All targets in OG5_131020
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Schistosoma japonicum cGMP-dependent protein kinase, isozyme 1, putative Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Brugia malayi Egg laying defective protein 4 Get druggable targets OG5_127599 All targets in OG5_127599
Plasmodium knowlesi cGMP-dependent protein kinase, putative Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus multilocularis rac serine:threonine kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus cGMP dependent protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Onchocerca volvulus Get druggable targets OG5_131020 All targets in OG5_131020
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Theileria parva cGMP-dependent protein kinase, putative Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma brucei rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Schistosoma japonicum Rho-associated protein kinase 1, putative Get druggable targets OG5_131020 All targets in OG5_131020
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta-1, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus granulosus cGMP dependent protein kinase 1 Get druggable targets OG5_127599 All targets in OG5_127599
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium berghei rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/PKG protein kinase Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Echinococcus multilocularis Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Cryptosporidium parvum cyclic nucleotide (cGMP)-dependent protein kinase with 3 cNMP binding domains and a Ser/Thr kinase domain Get druggable targets OG5_127599 All targets in OG5_127599
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K08792 serum/glucocorticoid regulated kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Schistosoma japonicum ko:K07376 protein kinase, cGMP-dependent, putative Get druggable targets OG5_127599 All targets in OG5_127599
Onchocerca volvulus Get druggable targets OG5_131020 All targets in OG5_131020
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128437 All targets in OG5_128437
Candida albicans protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei rac serine-threonine kinase, putative 0.0068 0.0657 0.5
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0046 0.0226 0.0815
Echinococcus granulosus NDR protein kinase 0.0035 0.0013 0.0047
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0657 1
Entamoeba histolytica hypothetical protein 0.0456 0.823 1
Brugia malayi Protein kinase domain containing protein 0.006 0.0492 0.0479
Loa Loa (eye worm) AGC/AKT protein kinase 0.0068 0.0657 0.0644
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0547 1 1
Echinococcus granulosus protein kinase c epsilon type 0.0035 0.0013 0.0047
Echinococcus multilocularis rho associated protein kinase 0.0177 0.2778 1
Schistosoma mansoni serine/threonine protein kinase 0.0177 0.2778 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0068 0.0657 0.0644
Echinococcus granulosus rho-associated protein kinase 1 0.0177 0.2778 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0068 0.0657 0.0644
Toxoplasma gondii AGC kinase 0.0068 0.0657 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0035 0.0013 0.0047
Echinococcus multilocularis serine:threonine protein kinase N2 0.0035 0.0013 0.0047
Trichomonas vaginalis AGC family protein kinase 0.006 0.0492 0.7441
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0046 0.0226 0.0815
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0035 0.0013 0.0047
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0013 0.0047
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0657 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0035 0.0013 0.0047
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0035 0.0013 0.0047
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0034 0 0.5
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0035 0.0013 0.0047
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0657 1
Trypanosoma cruzi Protein kinase B 0.0034 0 0.5
Echinococcus multilocularis serine threonine protein kinase 0.0035 0.0013 0.0047
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0035 0.0013 0.0047
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0226 0.0815
Plasmodium falciparum cGMP-dependent protein kinase 0.0046 0.0226 1
Onchocerca volvulus 0.0177 0.2778 1
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0013 0.0047
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0058 0.0465 0.7019
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0013 0.0047
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.006 0.0492 0.0479
Echinococcus multilocularis serine:threonine protein kinase 38 0.0035 0.0013 0.0047
Schistosoma mansoni serine/threonine protein kinase 0.0046 0.0226 0.0815
Brugia malayi Protein kinase domain containing protein 0.0068 0.0657 0.0644
Entamoeba histolytica protein kinase, putative 0.0068 0.0657 0.0798
Echinococcus granulosus cGMP dependent protein kinase 1 0.0046 0.0226 0.0815
Echinococcus multilocularis serine:threonine protein kinase N2 0.0035 0.0013 0.0047
Giardia lamblia Kinase, AGC PKA 0.0034 0 0.5
Entamoeba histolytica protein kinase, putative 0.0035 0.0013 0.0016
Schistosoma mansoni serine/threonine kinase 0.0035 0.0013 0.0047
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0034 0 0.5
Echinococcus granulosus protein kinase c iota type 0.0035 0.0013 0.0047
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0657 1
Loa Loa (eye worm) AGC/PKG protein kinase 0.0046 0.0226 0.0214
Mycobacterium ulcerans hypothetical protein 0.0045 0.0199 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0013 0.0047
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0657 1
Echinococcus multilocularis protein kinase c iota type 0.0035 0.0013 0.0047
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0013 0.0047
Trichomonas vaginalis AGC family protein kinase 0.006 0.0492 0.7441
Entamoeba histolytica protein kinase, putative 0.0068 0.0657 0.0798
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0035 0.0013 0.0047
Trichomonas vaginalis AGC family protein kinase 0.006 0.0492 0.7441
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0657 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0034 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0013 0.0047
Echinococcus granulosus cGMP dependent protein kinase 0.0046 0.0226 0.0815
Entamoeba histolytica protein kinase, putative 0.0068 0.0657 0.0798
Brugia malayi Egg laying defective protein 4 0.0046 0.0226 0.0214
Echinococcus granulosus cGMP dependent protein kinase 1 0.0046 0.0226 0.0815
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0657 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0035 0.0013 0.0047
Echinococcus multilocularis expressed conserved protein 0.0046 0.0226 0.0815
Schistosoma mansoni atypical protein kinase C 0.0035 0.0013 0.0047
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0035 0.0013 0.0047
Echinococcus granulosus protein kinase C gamma type 0.0035 0.0013 0.0047
Echinococcus multilocularis protein kinase c epsilon type 0.0035 0.0013 0.0047
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0013 0.0047

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) Binding affinity to SGK1 by fluorescence anisotropy assay ChEMBL. 22521647
Kd (binding) < 0.2 nM Binding affinity to His6-tagged recombinant human ROCK2 by fluorescence anisotropy assay ChEMBL. 22521647
Kd (binding) = 3.2 nM Binding affinity to His6-tagged recombinant human PKG1alpha by fluorescence anisotropy assay in absence of cGMP ChEMBL. 22521647
Kd (binding) = 5.3 nM Binding affinity to His6-tagged recombinant human MSK1 by fluorescence anisotropy assay ChEMBL. 22521647
Kd (binding) = 11 nM Binding affinity to His6-tagged recombinant human p70S6K by fluorescence anisotropy assay ChEMBL. 22521647

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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