TIQ-15 [Ligand Id: 9882] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL3091687 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| nicotinic acetylcholine receptor α1 subunit/Acetylcholine receptor protein alpha chain in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4808] [GtoPdb: 462] [UniProtKB: P02708] | ||||||||
| ChEMBL | Inhibition of nAChR alpha1 (unknown origin) | B | 4.52 | pIC50 | >30000 | nM | IC50 | ACS Med Chem Lett (2018) 9: 446-451 [PMID:29795757] |
| acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
| ChEMBL | Inhibition of AChE (unknown origin) | B | 4.52 | pIC50 | >30000 | nM | IC50 | ACS Med Chem Lett (2018) 9: 446-451 [PMID:29795757] |
| α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913] | ||||||||
| ChEMBL | Inhibition of adrenergic alpha2A receptor (unknown origin) | B | 5.43 | pIC50 | 3700 | nM | IC50 | ACS Med Chem Lett (2018) 9: 446-451 [PMID:29795757] |
| ChEMBL | Inhibition of alpha 2A adrenergic receptor (unknown origin) | B | 5.43 | pIC50 | 3700 | nM | IC50 | J Med Chem (2022) 65: 4058-4084 [PMID:35179893] |
| α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825] | ||||||||
| ChEMBL | Inhibition of alpha 2C adrenergic receptor (unknown origin) | B | 4.64 | pIC50 | 23000 | nM | IC50 | J Med Chem (2022) 65: 4058-4084 [PMID:35179893] |
| CXCR4/C-X-C chemokine receptor type 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2107] [GtoPdb: 71] [UniProtKB: P61073] | ||||||||
| ChEMBL | Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 E288A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay | B | 5.01 | pIC50 | 9710 | nM | IC50 | ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949] |
| ChEMBL | Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D171A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay | B | 6.38 | pIC50 | 414 | nM | IC50 | ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949] |
| ChEMBL | Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D97A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay | B | 6.54 | pIC50 | 288 | nM | IC50 | ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949] |
| ChEMBL | Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 D187A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay | B | 6.71 | pIC50 | 197 | nM | IC50 | ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949] |
| ChEMBL | Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 Y116A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay | B | 6.82 | pIC50 | 152 | nM | IC50 | ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949] |
| ChEMBL | Displacement of [125I]SDF-1alpha from CXCR4 in human Chem-1 cells after 90 mins | B | 6.92 | pIC50 | 120 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1025-1030 [PMID:24936240] |
| ChEMBL | Displacement of [125I]-SDF-1 from CXCR4 (unknown origin) | B | 6.95 | pIC50 | 112 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 4950-4955 [PMID:25935642] |
| ChEMBL | Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay | B | 7.04 | pIC50 | 91 | nM | IC50 | ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949] |
| ChEMBL | Antagonist activity at recombinant human N-terminal MDSKGSSQKGSRLLLLLVVSNLLLCQGVVS-tagged CXCR4 W94A mutant expressed in HEK293 cells assessed as inhibition of SDF1alpha-induced Gi activation preincubated for 30 mins followed by SDF1alpha addition and measured after 5 mins by BRET assay | B | 7.18 | pIC50 | 66 | nM | IC50 | ACS Med Chem Lett (2019) 10: 67-73 [PMID:30655949] |
| ChEMBL | Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infection | B | 7.46 | pIC50 | 35 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1025-1030 [PMID:24936240] |
| ChEMBL | Antagonist activity at CXCR4 (unknown origin) expressed in CHO-K1 cells assessed as inhibition of SDF-1alpha/forskolin-induced cAMP production | F | 7.72 | pIC50 | 19 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1025-1030 [PMID:24936240] |
| ChEMBL | Antagonist activity at CXCR4 (unknown origin) assessed as inhibition of SDF-1-induced beta-arrestin recruitment incubated for 30 mins prior to SDF-1 challenge measured after 90 mins by chemiluminescence assay | B | 7.82 | pIC50 | 15 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1025-1030 [PMID:24936240] |
| ChEMBL | Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF1alpha-induced calcium flux pretreated for 25 mins followed by SDF1alpha addition measured for 90 secs by calcium dye-based fluorescence assay | F | 8.15 | pIC50 | 7 | nM | IC50 | ACS Med Chem Lett (2018) 9: 17-22 [PMID:29348805] |
| GtoPdb | Measuring antagonist-mediated inhibition of CXCL12-induced calcium flux in human T lymphoblast CCRF-CEM cells. | - | 8.2 | pIC50 | 6.25 | nM | IC50 | J Med Chem (2018) 61: 946-979 [PMID:29350534] |
| ChEMBL | Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha addition and monitered for 90 sec | F | 8.2 | pIC50 | 6.25 | nM | IC50 | ACS Med Chem Lett (2021) 12: 1605-1612 [PMID:34676043] |
| ChEMBL | Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF-1alpha addition measured for 90 secs by calcium dye-based fluorescence assay | F | 8.2 | pIC50 | 6.25 | nM | IC50 | J Med Chem (2018) 61: 946-979 [PMID:29350534] |
| ChEMBL | Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed by SDF-1alpha stimulation and measured for 90 secs by calcium flux assay | F | 8.2 | pIC50 | 6.25 | nM | IC50 | J Med Chem (2018) 61: 7168-7188 [PMID:30052039] |
| ChEMBL | Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1alpha addition measured for 90 secs by calcium-dye based assay | F | 8.22 | pIC50 | 6 | nM | IC50 | ACS Med Chem Lett (2018) 9: 446-451 [PMID:29795757] |
| ChEMBL | Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene assay | B | 8.3 | pIC50 | 5 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1025-1030 [PMID:24936240] |
| ChEMBL | Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assay | F | 8.52 | pIC50 | 3 | nM | IC50 | ACS Med Chem Lett (2013) 4: 1025-1030 [PMID:24936240] |
| ChEMBL | Agonist activity at CXCR4 in human CCRF-CEM cells assessed as induction of Ca2+ flux measured for 90 secs by calcium dye-based fluorescence assay | F | 4.52 | pEC50 | >30000 | nM | EC50 | J Med Chem (2018) 61: 946-979 [PMID:29350534] |
| D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | Inhibition of dopamine D2 receptor (unknown origin) | B | 5.24 | pIC50 | 5700 | nM | IC50 | J Med Chem (2022) 65: 4058-4084 [PMID:35179893] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Displacement of [3H]astemizole from human ERG expressed in HEK cell membranes | B | 5.05 | pIC50 | 8920 | nM | IC50 | J Med Chem (2018) 61: 7168-7188 [PMID:30052039] |
| κ receptor/Kappa opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL237] [GtoPdb: 318] [UniProtKB: P41145] | ||||||||
| ChEMBL | Inhibition of kappa opioid receptor (unknown origin) | B | 5.8 | pIC50 | 1600 | nM | IC50 | J Med Chem (2022) 65: 4058-4084 [PMID:35179893] |
| μ receptor/Mu opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL233] [GtoPdb: 319] [UniProtKB: P35372] | ||||||||
| ChEMBL | Inhibition of mu opioid receptor (unknown origin) | B | 4.82 | pIC50 | 15000 | nM | IC50 | J Med Chem (2022) 65: 4058-4084 [PMID:35179893] |
| ChEMBL | Inhibition of mu opioid receptor (unknown origin) | B | 4.83 | pIC50 | 14900 | nM | IC50 | ACS Med Chem Lett (2018) 9: 446-451 [PMID:29795757] |
| M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172] | ||||||||
| ChEMBL | Inhibition of M2 mAChR receptor (unknown origin) | B | 5.12 | pIC50 | 7600 | nM | IC50 | J Med Chem (2022) 65: 4058-4084 [PMID:35179893] |
| nicotinic acetylcholine receptor α7 subunit/Neuronal acetylcholine receptor protein alpha-7 subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2492] [GtoPdb: 468] [UniProtKB: P36544] | ||||||||
| ChEMBL | Inhibition of alpha7 nicotinic acetylcholine receptor (unknown origin) | B | 4.52 | pIC50 | >30000 | nM | IC50 | J Med Chem (2022) 65: 4058-4084 [PMID:35179893] |
| CYP2D6 in Human [GtoPdb: 1329] [UniProtKB: P10635] | ||||||||
| GtoPdb | - | - | 6.49 | pIC50 | 320 | nM | IC50 | J Med Chem (2018) 61: 946-979 [PMID:29350534] |
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]
