isothiourea-1a [Ligand Id: 2900] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL452864 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| CCR4/C-C chemokine receptor type 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2414] [GtoPdb: 61] [UniProtKB: P51679] | ||||||||
| ChEMBL | Inhibition of CCR4 | B | 5.52 | pIC50 | <3000 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
| CCR5/C-C chemokine receptor type 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL274] [GtoPdb: 62] [UniProtKB: P51681] | ||||||||
| ChEMBL | Inhibition of CCR5 | B | 5.52 | pIC50 | <3000 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
| CCR7/C-C chemokine receptor type 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4594] [GtoPdb: 64] [UniProtKB: P32248] | ||||||||
| ChEMBL | Inhibition of CCR7 | B | 5.52 | pIC50 | >3000 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
| CCR9/C-C chemokine receptor type 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5815] [GtoPdb: 66] [UniProtKB: P51686] | ||||||||
| ChEMBL | Inhibition of CCR9 | B | 5.52 | pIC50 | <3000 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
| CXCR4/C-X-C chemokine receptor type 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2107] [GtoPdb: 71] [UniProtKB: P61073] | ||||||||
| ChEMBL | Activity at CXCR4 in human Jurkat T cells assessed as inhibition of CXCL12-induced cell migration | B | 7.24 | pIC50 | 58 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
| ChEMBL | Displacement of [125I]CXCL12 from CXCR4 in human CEM cells | B | 7.32 | pIC50 | 48 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
| GtoPdb | - | - | 7.32 | pIC50 | - | - | - | J Med Chem (2008) 51: 7915-20 [PMID:19053768] |
| ChEMBL | Activity at CXCR4 in human CEM cells assessed as inhibition of CXCL12-induced calcium mobilization | F | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
| GtoPdb | - | - | 7.96 | pEC50 | - | - | - | J Med Chem (2008) 51: 7915-20 [PMID:19053768] |
| CXCR4/C-X-C chemokine receptor type 4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5556] [GtoPdb: 71] [UniProtKB: O08565] | ||||||||
| ChEMBL | Displacement of [125I]CXCL12 from CXCR4 in rat IR983F cells | B | 7.26 | pIC50 | 55 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
| GtoPdb | - | - | 7.26 | pIC50 | - | - | - | J Med Chem (2008) 51: 7915-20 [PMID:19053768] |
| ChEMBL | Activity at CXCR4 in rat IR983F cells assessed as inhibition of CXCL12-induced cell migration | B | 7.54 | pIC50 | 29 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human recombinant ERG in CHOK1 cells | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
| ChEMBL | Displacement of [3H]dofetilide from human recombinant ERG expressed in HEK293 cells | B | 5.07 | pIC50 | 8500 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
| CXCR2/Interleukin-8 receptor B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2434] [GtoPdb: 69] [UniProtKB: P25025] | ||||||||
| ChEMBL | Inhibition of CXCR2 | B | 5.52 | pIC50 | <3000 | nM | IC50 | J Med Chem (2008) 51: 7915-7920 [PMID:19053768] |
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]
