cinacalcet [Ligand Id: 3308] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1201284 (AMG 073, AMG-073, AMG073, Cinacalcet, KRN-1493, KRN1493) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3736] [GtoPdb: 1614] [UniProtKB: Q9BYF1] | ||||||||
| ChEMBL | Inhibition of recombinant human ACE2 using MCA-Tyr-Val-Ala-Asp-Ala-Pro-Lys(DNP)-OH as substrate preincubated for 15 mins followed by substrate addition and measured upto 15 mins by fluorescence assay | B | 4.55 | pIC50 | 28200 | nM | IC50 | J Med Chem (2021) 64: 17530-17539 [PMID:34812616] |
| CaS receptor/Calcium sensing receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1878] [GtoPdb: 54] [UniProtKB: P41180] | ||||||||
| ChEMBL | Positive allosteric modulation of human CaSR transfected in CHO cells after 5 hrs by luciferase reporter gene assay | B | 7.1 | pEC50 | 80 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 2451-2454 [PMID:23465611] |
| GtoPdb | - | - | 7.3 | pEC50 | 51 | nM | EC50 | J Pharmacol Exp Ther (2004) 308: 627-35 [PMID:14593085] |
| CYP2D6/Cytochrome P450 2D6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL289] [GtoPdb: 1329] [UniProtKB: P10635] | ||||||||
| ChEMBL | Inhibition Assay: Incubations were conducted in 96 well microtiter plates based on a method described by BD Biosciences. To the first well in each row, a NADPH regenerating system and test compound was added. In the second well and all remaining wells, NADPH regenerating system and acetonitrile (final concentration of 2%) was added. The final assay concentration of the NADPH regenerating system was 8.2 uM NADP+, 0.41 mM glucose-6-phosphate, 0.41 mM magnesium chloride hexahydrate and 0.4 U/ml glucose-6-phosphate dehydrogenase and 0.01 mg/mL control insect cell membrane protein. The test compound solution was serially diluted 1:3 through the eighth wells.The final concentration of the test compounds were in the range 100 uM to 45.7 nM in the eight rows. Wells 9 and 10 contained no test compound (only NADPH regenerating system and enzyme/substrate mix) and wells 11 and 12 were used as controls for background fluorescence (enzyme and substrate were added after the reaction was terminated). The plate was then pre-incubated at 37° C. for 10 min, and the reaction was initiated by the addition of pre-warmed enzyme/substrate mix. The assay concentration of the enzyme/substrate mix was 100 mM potassium phosphate, pH 7.4, 1.5 pmol recombinant human P450 CYP2D6 and 1.5 uM of the fluorescent substrate 3-[2-(N,N diethyl-N-methylamino)ethyl]-7-methoxy-4-methylcounnarin (AMMC). The assay was conducted in duplicate in a final volume of 200 uL per well. Reactions were terminated after 30 min by addition of a 4:1, acetonitrile:0.5 M Tris base solution. Quinidine was used as positive control, 0.5 uM as highest concentration. Fluorescence per well was measured using a fluorescence plate reader (excitation: 390 nm, emission: 460 nm). | B | 7.3 | pIC50 | 50 | nM | IC50 | US-9487494-B2. Cyclic hydrocarbon compounds for the treatment of diseases (2016) |
| glycine receptor α1 subunit/Glycine receptor subunit alpha-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5845] [GtoPdb: 423] [UniProtKB: P23415] | ||||||||
| ChEMBL | Potentiation of human GlyR-alpha1 expressed in Xenopus laevis oocytes assessed as induction of glycine-activated currents after 1 to 4 days by two-electrode voltage clamp assay | B | 6.49 | pEC50 | 320 | nM | EC50 | J Med Chem (2015) 58: 2958-2966 [PMID:25790278] |
| mGlu5 receptor in Rat [GtoPdb: 293] [UniProtKB: P31424] | ||||||||
| GtoPdb | - | - | 4.35 | pKi | - | - | - | Mol Pharmacol (2018) 93: 504-514 [PMID:29514854] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]
