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 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]
