5-(N,N-hexamethylene)-amiloride [Ligand Id: 1192] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL501701 (5-(N,N-Hexamethylene)Amiloride)
  • A2A receptor/Adenosine A2a receptor in Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
  • This target only has 0 pki data point
1 CHEMBL501701_lig_chart_1 Adenosine A2a receptor Human
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  • coagulation factor X/Coagulation factor X in Human [ChEMBL: CHEMBL244] [GtoPdb: 2359] [UniProtKB: P00742]
  • This target only has 0 pki data point
2 CHEMBL501701_lig_chart_2 Coagulation factor X Human
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  • coagulation factor XI/Coagulation factor XI in Human [ChEMBL: CHEMBL2820] [GtoPdb: 2360] [UniProtKB: P03951]
  • This target only has 0 pki data point
3 CHEMBL501701_lig_chart_3 Coagulation factor XI Human
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  • kallikrein B1/Plasma kallikrein in Human [ChEMBL: CHEMBL2000] [GtoPdb: 2379] [UniProtKB: P03952]
  • This target only has 0 pki data point
4 CHEMBL501701_lig_chart_4 Plasma kallikrein Human
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  • plasminogen/Plasminogen in Human [ChEMBL: CHEMBL1801] [GtoPdb: 2394] [UniProtKB: P00747]
  • This target only has 0 pki data point
5 CHEMBL501701_lig_chart_5 Plasminogen Human
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  • Plasmodium falciparum [ChEMBL: CHEMBL364]
  • This target only has 0 pki data point
6 CHEMBL501701_lig_chart_6 Plasmodium falciparum Plasmodium falciparum
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7 CHEMBL501701_lig_chart_7 Sodium/hydrogen exchanger 1 Rat
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8 CHEMBL501701_lig_chart_8 Sodium/hydrogen exchanger 3 Rat
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9 CHEMBL501701_lig_chart_9 Sodium/hydrogen exchanger 5 Human
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  • coagulation factor II, thrombin/Thrombin in Human [ChEMBL: CHEMBL204] [GtoPdb: 2362] [UniProtKB: P00734]
  • This target only has 0 pki data point
10 CHEMBL501701_lig_chart_10 Thrombin Human
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  • plasminogen activator, tissue type/Tissue-type plasminogen activator in Human [ChEMBL: CHEMBL1873] [GtoPdb: 2392] [UniProtKB: P00750]
  • This target only has 0 pki data point
11 CHEMBL501701_lig_chart_11 Tissue-type plasminogen activator Human
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  • plasminogen activator, urokinase/Urokinase-type plasminogen activator in Human [ChEMBL: CHEMBL3286] [GtoPdb: 2393] [UniProtKB: P00749]
  • plasminogen activator, urokinase/Urokinase-type plasminogen activator in Mouse [ChEMBL: CHEMBL1075311] [GtoPdb: 2393] [UniProtKB: P06869]
12 CHEMBL501701_lig_chart_12 Urokinase-type plasminogen activator HumanMouse
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  • protein C, inactivator of coagulation factors Va and VIIIa/Vitamin K-dependent protein C in Human [ChEMBL: CHEMBL4444] [GtoPdb: 2396] [UniProtKB: P04070]
  • This target only has 0 pki data point
13 CHEMBL501701_lig_chart_13 Vitamin K-dependent protein C Human
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  • α2A-adrenoceptor in Human [GtoPdb: 25] [UniProtKB: P08913]
  • This target only has 0 pki data point
14 CHEMBL501701_lig_chart_14 α2A-adrenoceptor Human
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  • GnRH1 receptor in Human [GtoPdb: 256] [UniProtKB: P30968]
  • This target only has 0 pki data point
15 CHEMBL501701_lig_chart_15 GnRH1 receptor Human
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL Displacement of [3H]ZM-241,385 from human N-terminal FLAG-tagged adenosine A2A receptor expressed in HEK293 cell membrane by microbeta scintillation counting method B 5.29 pIC50 5100 nM IC50 J. Med. Chem. (2016) 59: 4769-4777 [PMID:27124340]
coagulation factor X/Coagulation factor X in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL244] [GtoPdb: 2359] [UniProtKB: P00742]
ChEMBL Inhibition of factor 10a (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay B 4.3 pIC50 >50000 nM IC50 J Med Chem (2018) 61: 8299-8320 [PMID:30130401]
coagulation factor XI/Coagulation factor XI in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2820] [GtoPdb: 2360] [UniProtKB: P03951]
ChEMBL Inhibition of factor 11a (unknown origin) using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay B 4.3 pIC50 >50000 nM IC50 J Med Chem (2018) 61: 8299-8320 [PMID:30130401]
kallikrein B1/Plasma kallikrein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2000] [GtoPdb: 2379] [UniProtKB: P03952]
ChEMBL Inhibition of human plasma kallikrein using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay B 4.3 pIC50 >50000 nM IC50 J Med Chem (2018) 61: 8299-8320 [PMID:30130401]
plasminogen/Plasminogen in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1801] [GtoPdb: 2394] [UniProtKB: P00747]
ChEMBL Inhibition of plasmin (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay B 5 pIC50 >10000 nM IC50 J Med Chem (2018) 61: 8299-8320 [PMID:30130401]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay F 4.9 pIC50 12589.25 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay F 5 pIC50 10000 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay F 5.1 pIC50 7943.28 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay F 5.1 pIC50 7943.28 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay F 5.4 pIC50 3981.07 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay F 5.5 pIC50 3162.28 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
Sodium/hydrogen exchanger 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2577] [GtoPdb: 948] [UniProtKB: P26431]
ChEMBL Inhibition of rat NHE1 expressed in chinese hamster AP1 cells assessed as inhibition of acid-induced 22Na+ influx by liquid scintillation spectroscopy B 7.89 pKi 13 nM Ki WO-2014169094-A2. NHE3-binding compounds and methods for inhibiting phosphate transport (2014)
ChEMBL Inhibition of rat NHE-1 B 7.89 pKi 13 nM Ki US-8541448-B2. Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders (2013)
Sodium/hydrogen exchanger 3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3879842] [GtoPdb: 950] [UniProtKB: P26433]
ChEMBL Inhibition of rat NHE3 expressed in chinese hamster AP1 cells assessed as inhibition of acid-induced 22NA+ influx by liquid scintillation spectroscopy B 5.62 pKi 2400 nM Ki WO-2014169094-A2. NHE3-binding compounds and methods for inhibiting phosphate transport (2014)
ChEMBL Inhibition of rat NHE-3 B 5.62 pKi 2400 nM Ki US-8541448-B2. Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders (2013)
Sodium/hydrogen exchanger 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3058] [GtoPdb: 952] [UniProtKB: Q14940]
ChEMBL Inhibition of full length human C-terminal HA-tagged human NHE5 expressed in chinese hamster AP1 cells assessed as inhibition of acid-induced 22NA+ influx by liquid scintillation spectroscopy B 6.43 pKi 370 nM Ki WO-2014169094-A2. NHE3-binding compounds and methods for inhibiting phosphate transport (2014)
ChEMBL Inhibition of NHE-5 (unknown origin) B 6.43 pKi 370 nM Ki US-8541448-B2. Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders (2013)
coagulation factor II, thrombin/Thrombin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL204] [GtoPdb: 2362] [UniProtKB: P00734]
ChEMBL Inhibition of thrombin (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay B 5 pIC50 >10000 nM IC50 J Med Chem (2018) 61: 8299-8320 [PMID:30130401]
plasminogen activator, tissue type/Tissue-type plasminogen activator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1873] [GtoPdb: 2392] [UniProtKB: P00750]
ChEMBL Inhibition of tPA (unknown origin) using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay B 5 pIC50 >10000 nM IC50 J Med Chem (2018) 61: 8299-8320 [PMID:30130401]
plasminogen activator, urokinase/Urokinase-type plasminogen activator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3286] [GtoPdb: 2393] [UniProtKB: P00749]
ChEMBL Inhibition of human kidney uPA using Z-Gly-Gly-Arg-AMC as substrate measured over 15 mins by fluorescence assay B 5.87 pKi 1356 nM Ki J Med Chem (2018) 61: 8299-8320 [PMID:30130401]
ChEMBL Inhibition of human kidney uPA using chromogenic H-D-Ile-L-Pro-L-Arg-p-nitoraniline as substrate by fluorescence assay B 5.62 pIC50 2400 nM IC50 J Med Chem (2018) 61: 8299-8320 [PMID:30130401]
plasminogen activator, urokinase/Urokinase-type plasminogen activator in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075311] [GtoPdb: 2393] [UniProtKB: P06869]
ChEMBL Inhibition of mouse uPA using Z-Gly-Gly-Arg-AMC as substrate after 15 mins by fluorescence assay B 5.03 pKi 9308 nM Ki J Med Chem (2018) 61: 8299-8320 [PMID:30130401]
protein C, inactivator of coagulation factors Va and VIIIa/Vitamin K-dependent protein C in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4444] [GtoPdb: 2396] [UniProtKB: P04070]
ChEMBL Inhibition of activated protein C (unknown origin) using chromogenic L-pyroGlu-L-Pro-L-Arg-p-nitroaniline as substrate by fluorescence assay B 4.3 pIC50 >50000 nM IC50 J Med Chem (2018) 61: 8299-8320 [PMID:30130401]
α2A-adrenoceptor in Human [GtoPdb: 25] [UniProtKB: P08913]
GtoPdb - - 2.5 pKd - - - Mol. Pharmacol. (1992) 42: 175-9 [PMID:1325028];
Mol. Pharmacol. (1998) 53: 916-25 [PMID:9584219]
GnRH1 receptor in Human [GtoPdb: 256] [UniProtKB: P30968]
GtoPdb - - 4.3 pIC50 - - - Mol. Pharmacol. (2008) 73: 1808-15 [PMID:18344315]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]