TIQ-15 [Ligand Id: 9882] activity data from GtoPdb and ChEMBL
Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
| ChEMBL ligand: CHEMBL3091687 |
|---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
|
There should be some charts here, you may need to enable JavaScript!
|
|
There should be some charts here, you may need to enable JavaScript!
|
|
There should be some charts here, you may need to enable JavaScript!
|
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
|
There should be some charts here, you may need to enable JavaScript!
|
| 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]
