cetirizine [Ligand Id: 1222] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1000 (AC-170, Cetirizine)
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  • H1 receptor/Histamine H1 receptor in Human [ChEMBL: CHEMBL231] [GtoPdb: 262] [UniProtKB: P35367]
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  • TEK receptor tyrosine kinase/Tyrosine-protein kinase TIE-2 in Human [ChEMBL: CHEMBL4128] [GtoPdb: 1842] [UniProtKB: Q02763]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809]
ChEMBL Inhibition of human ERG B 4.5 pIC50 31622.78 nM IC50 Eur. J. Med. Chem. (2011) 46: 618-630 [PMID:21185626]
ChEMBL Inhibition of human Potassium channel HERG expressed in mammalian cells B 4.52 pIC50 30199.52 nM IC50 Bioorg. Med. Chem. Lett. (2003) 13: 2773-2775 [PMID:12873512]
ChEMBL Inhibitory concentration against potassium channel HERG B 4.52 pIC50 30199.52 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 2886-2890 [PMID:15911273]
ChEMBL Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique B 4.52 pIC50 30199.52 nM IC50 Bioorg. Med. Chem. (2008) 16: 6252-6260 [PMID:18448342]
ChEMBL Inhibition of human ERG potassium channel in HEK293 cells by patch clamp assay B 4.52 pIC50 >30000 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 5507-5512 [PMID:16931010]
H1 receptor/Histamine H1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL231] [GtoPdb: 262] [UniProtKB: P35367]
ChEMBL Displacement of [3H]mepyramine from human histamine H1 receptor N7.45C mutant expressed in COS-7 cells by liquid scintillation counting B 7.1 pKi 79.43 nM Ki Nat. Chem. Biol. (2005) 1: 98-103 [PMID:16408006]
ChEMBL Displacement of [3H]mepyramine from human histamine H1 receptor N7.45S mutant expressed in COS-7 cells by liquid scintillation counting B 7.2 pKi 63.1 nM Ki Nat. Chem. Biol. (2005) 1: 98-103 [PMID:16408006]
ChEMBL Displacement of [3H]mepyramine from human histamine H1 receptor N7.45Q mutant expressed in COS-7 cells by liquid scintillation counting B 7.2 pKi 63.1 nM Ki Nat. Chem. Biol. (2005) 1: 98-103 [PMID:16408006]
ChEMBL Displacement of [3H]mepyramine from human histamine H1 receptor S3.36A mutant expressed in COS-7 cells by liquid scintillation counting B 7.3 pKi 50.12 nM Ki Nat. Chem. Biol. (2005) 1: 98-103 [PMID:16408006]
ChEMBL Displacement of [3H]mepyramine from human wild-type histamine H1 receptor expressed in COS-7 cells by liquid scintillation counting B 7.3 pKi 50.12 nM Ki Nat. Chem. Biol. (2005) 1: 98-103 [PMID:16408006]
ChEMBL Displacement of [3H]mepyramine from human histamine H1 receptor S3.36C mutant expressed in COS-7 cells by liquid scintillation counting B 7.5 pKi 31.62 nM Ki Nat. Chem. Biol. (2005) 1: 98-103 [PMID:16408006]
ChEMBL Displacement of [3H]mepyramine from human histamine H1 receptor S3.36T mutant expressed in COS-7 cells by liquid scintillation counting B 7.5 pKi 31.62 nM Ki Nat. Chem. Biol. (2005) 1: 98-103 [PMID:16408006]
ChEMBL In vitro binding affinity towards histamine H1 receptor expressed in CHO-K1 cells B 7.85 pKi 14 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 2265-2268 [PMID:15081022]
ChEMBL Inhibition constant against histamine H1 receptor B 7.85 pKi 14 nM Ki J. Med. Chem. (2005) 48: 6523-6543 [PMID:16220969]
ChEMBL Binding affinity towards human histamine H1 receptor expressed in CHO-K1 cells B 7.85 pKi 14 nM Ki Bioorg. Med. Chem. Lett. (2004) 14: 5591-5594 [PMID:15482930]
GtoPdb - - 8.2 pKi - - - Eur J Biochem (1994) 224: 489-95 [PMID:7925364]
ChEMBL Binding affinity for human Histamine H1 receptor in CHO K1 cells B 8.23 pKi 5.89 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 1083-1085 [PMID:15686917]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL DNDI: Malaria in Vitro, 72 hour F 4.7 pIC50 19980 nM IC50 Antiprotozoal Activity Profiling of Approved Drugs: A Starting Point toward Drug Repositioning
TEK receptor tyrosine kinase/Tyrosine-protein kinase TIE-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4128] [GtoPdb: 1842] [UniProtKB: Q02763]
ChEMBL Binding affinity to human recombinant Tie2 by SPR assay B 4.05 pKd 90000 nM Kd Bioorg. Med. Chem. Lett. (2012) 22: 2388-2392 [PMID:22406116]

ChEMBL data shown on this page come from version 28:

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]