canverixin [Ligand Id: 14179] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4782111 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| ACKR3/Atypical chemokine receptor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2010631] [GtoPdb: 80] [UniProtKB: P25106] | ||||||||
| ChEMBL | Binding affinity to SNAP-tag fused human CXCR7 expressed in HEK293 cells by HTRF assay | B | 9.28 | pKi | 0.53 | nM | Ki | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| GtoPdb | Measuring antagonism of CXCL12-induced β-arrestin recruitment | - | 8.49 | pIC50 | 3.2 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 24 hrs | B | 8.49 | pIC50 | 3.2 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | In Vitro Assay: Tango CXCR7-bla U2OS cells are detached from culture dishes with 0.05% trypsin-EDTA and collected in growing medium (McCoy's 5A 90% (v/v), dialyzed FCS 10% (v/v), 0.1 mM NEAA, 25 mM HEPES (pH7.3), 1 mM sodium pyruvate, P/S 1% (v/v) 50 μg/ml Hygromycin, 100 μg/ml Geneticin, 200 μg/ml Zeocin), spinned down and resuspended in assay medium (McCoy's 5A 90% (v/v), dialyzed FCS 1% (v/v), 0.1 mM NEAA, 25 mM HEPES (pH7.3), P/S 1% (v/v)). 10′000 cells per well (in 30 μl) are seeded in a 384 well plate (black-walled, clear bottom). The plate is incubated at 37° C./5% CO2 for 24 hours. Test compounds are dissolved to 10 mM in DMSO and serially diluted in DMSO to 500× of the final concentration for dose response curves. Compounds are then diluted 1:100 in assay medium to 5× of the final concentration. 10 μl/well of diluted compounds are added to the assay plate and incubated for 15 minutes at 37° C. Thereafter CXCL12/SDF1-α is diluted in assay medium to 5× of the final concentration (its EC80 value for receptor activation) and 10 μl/well are added to the assay plate. The agonist leads to activation of the receptor and therefore to b-arrestin recruitment. Compounds acting as antagonists reduce this activation. The plate is incubated for 22 hrs at 37° C. 10 μl/well of detection reagent (LiveBLAzer™-FRET BIG (CCF4-AM) substrate) is transferred to the assay plate and the plate is incubated for 2 hours at room temperature protected from light. Fluorescent counts are determined (Scan1: Ex 409/20 nm, Em 460/30 nm, Scan 2: Ex 409/20 nm, Em 530/30 nm). | B | 8.52 | pIC50 | 3 | nM | IC50 | US-11306078-B2. Piperidine CXCR7 receptor modulators (2022) |
| ChEMBL | Antagonist activity at CXCR7 in human Tango CXCR7-bla U2OS cells co-expressing TEV-fused-beta-arrestin using CCF4-AM as substrate incubated for 2 hrs and measured by FRET assay | F | 8.52 | pIC50 | 3 | nM | IC50 | US-20210115033-A1. Crystalline forms of the cxcr7 receptor antagonist (3s,4s)-1-cyclopropylmethyl-4-{[5-(2,4-difluoro-phenyl)-isoxazole-3-carbonyl]-amino}-piperidine-3-carboxylic acid (1-pyrimidin-2-yl-cyclopropyl)-amide (2021) |
| ChEMBL | In Vitro Assay: Tango CXCR7-bla U2OS cells are detached from culture dishes with 0.05% trypsin-EDTA and collected in growing medium (McCoy's 5A 90% (v/v), dialyzed FCS 10% (v/v), 0.1 mM NEAA, 25 mM HEPES (pH7.3), 1 mM sodium pyruvate, P/S 1% (v/v) 50 μg/ml Hygromycin, 100 μg/ml Geneticin, 200 μg/ml Zeocin), spinned down and resuspended in assay medium (McCoy's 5A 90% (v/v), dialyzed FCS 1% (v/v), 0.1 mM NEAA, 25 mM HEPES (pH7.3), P/S 1% (v/v)). 10′000 cells per well (in 30 μl) are seeded in a 384 well plate (black-walled, clear bottom). The plate is incubated at 37° C./5% CO2 for 24 hours. Test compounds are dissolved to 10 mM in DMSO and serially diluted in DMSO to 500× of the final concentration for dose response curves. Compounds are then diluted 1:100 in assay medium to 5× of the final concentration. 10 μl/well of diluted compounds are added to the assay plate and incubated for 15 minutes at 37° C. Thereafter CXCL12/SDF1-α is diluted in assay medium to 5× of the final concentration (its EC80 value for receptor activation) and 10 μl/well are added to the assay plate. The agonist leads to activation of the receptor and therefore to b-arrestin recruitment. Compounds acting as antagonists reduce this activation. The plate is incubated for 22 hrs at 37° C. 10 μl/well of detection reagent (LiveBLAzer™-FRET BIG (CCF4-AM) substrate) is transferred to the assay plate and the plate is incubated for 2 hours at room temperature protected from light. Fluorescent counts are determined (Scan1: Ex 409/20 nm, Em 460/30 nm, Scan 2: Ex 409/20 nm, Em 530/30 nm). | B | 8.52 | pIC50 | 3 | nM | IC50 | US-11306078-B2. Piperidine CXCR7 receptor modulators (2022) |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 1 uM CXCL11 level | B | 8.55 | pIC50 | 2.83 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 333 nM CXCL11 level | B | 8.55 | pIC50 | 2.79 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 111 nM CXCL11 level | B | 8.63 | pIC50 | 2.32 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 37 nM CXCL11 level | B | 8.69 | pIC50 | 2.03 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 4.11 nM CXCL11 level | B | 8.74 | pIC50 | 1.84 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL11 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 12.3 nM CXCL11 level | B | 8.78 | pIC50 | 1.65 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 1.97 nM CXCL12 level | B | 8.94 | pIC50 | 1.15 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 4.11 nM CXCL12 level | B | 9 | pIC50 | 0.99 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 12.3 nM CXCL12 level | B | 9.01 | pIC50 | 0.98 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 111 nM CXCL12 level | B | 9.02 | pIC50 | 0.96 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 333 nM CXCL12 level | B | 9.04 | pIC50 | 0.9 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 1 uM CXCL12 level | B | 9.05 | pIC50 | 0.9 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ChEMBL | Insurmountable antagonist activity at CXCR7 (unknown origin) expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12 induced response pre-incubated for 15 mins before CXCL12-alpha addition and measured after 25.5 hrs in presence of 37 nM CXCL12 level | B | 9.06 | pIC50 | 0.86 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| Atypical chemokine receptor 3 in Dog (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4739676] [UniProtKB: P11613] | ||||||||
| ChEMBL | Antagonist activity at dog CXCR7 expressed in CHO-K1 cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced response incubated for 24 hrs | B | 8.64 | pIC50 | 2.3 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ACKR3/Atypical chemokine receptor 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105796] [GtoPdb: 80] [UniProtKB: P56485] | ||||||||
| ChEMBL | Antagonist activity at mouse CXCR7 expressed in human U2OS cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced response incubated for 24 hrs | B | 8.64 | pIC50 | 2.3 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| ACKR3/Atypical chemokine receptor 3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4739671] [GtoPdb: 80] [UniProtKB: O89039] | ||||||||
| ChEMBL | Antagonist activity at rat CXCR7 expressed in HEK293 cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced response incubated for 24 hrs | B | 8.51 | pIC50 | 3.1 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| CXCR4/C-X-C chemokine receptor type 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2107] [GtoPdb: 71] [UniProtKB: P61073] | ||||||||
| ChEMBL | Antagonist activity CXCR4 in human MOLT-4 cells co-expressing beta-arrestin assessed as reduction in CXCL12-alpha induced response pre-incubated for 20 mins before CXCL12 addition by FLIPR assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
| Kv11.1/Voltage-gated inwardly rectifying potassium channel KCNH2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG expressed in CHO cells at -40 mV holding potential by Q-patch clamp assay | B | 5.24 | pIC50 | 5700 | nM | IC50 | J Med Chem (2020) 63: 15864-15882 [PMID:33314938] |
ChEMBL data shown on this page come from version 36:
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]
