THIQ [Ligand Id: 1338] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL339053 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| MC1 receptor/Melanocortin receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3795] [GtoPdb: 282] [UniProtKB: Q01726] | ||||||||
| ChEMBL | Inhibitory activity towards human Melanocortin 1 Receptor | B | 5.3 | pKi | >5000 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2819-2823 [PMID:15911261] |
| ChEMBL | Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-1 receptor | B | 5.82 | pKi | 1500 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 4417-4423 [PMID:15357964] |
| ChEMBL | Binding affinity towards Melanocortin 1 receptor using [125I]NDP-MSH | B | 6.12 | pKi | 760 | nM | Ki | J Med Chem (2004) 47: 4613-4626 [PMID:15317471] |
| ChEMBL | Displacement of europium labeled NDP-alpha-MSH from human MC1 receptor expressed in HEK293 cells | B | 6.52 | pKi | 300 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 1223-1228 [PMID:18078748] |
| ChEMBL | Evaluated for binding affinity against human melanocortin 1 (hMC1R) receptor by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells | F | 5.68 | pIC50 | 2067 | nM | IC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC1R expressed in CHO cells | B | 5.69 | pIC50 | 2063 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 3430-3433 [PMID:15951175] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from human MC1BR expressed in CHO cells | B | 5.69 | pIC50 | 2063 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 1130-1133 [PMID:16364639] |
| ChEMBL | Functional activity as concentration at 50% maximum cAMP accumulation in human melanocortin 1 (MC1R) receptor | F | 5.55 | pEC50 | 2850 | nM | EC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Activity against human MC1BR by cAMP accumulation | F | 5.55 | pEC50 | 2850 | nM | EC50 | Bioorg Med Chem Lett (2006) 16: 1130-1133 [PMID:16364639] |
| ChEMBL | In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 1 receptor (hMC1R) | F | 5.85 | pEC50 | 1400 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 3793-3796 [PMID:14552781] |
| ChEMBL | Agonist activity at human MC1 receptor expressed in HEK293 cells | F | 8.3 | pEC50 | 5 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 1223-1228 [PMID:18078748] |
| MC2 receptor/Melanocortin receptor 2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2279] [GtoPdb: 283] [UniProtKB: Q64326] | ||||||||
| ChEMBL | In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 2 receptor (mMC2R) | F | 5 | pEC50 | >10000 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 3793-3796 [PMID:14552781] |
| MC3 receptor/Melanocortin receptor 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4644] [GtoPdb: 284] [UniProtKB: P41968] | ||||||||
| ChEMBL | Binding affinity towards Melanocortin 3 receptor using [125I]NDP-MSH | B | 5.35 | pKi | 4500 | nM | Ki | J Med Chem (2004) 47: 4613-4626 [PMID:15317471] |
| ChEMBL | Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-3 receptor | B | 5.64 | pKi | 2300 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 4417-4423 [PMID:15357964] |
| ChEMBL | Inhibitory activity towards human Melanocortin 3 Receptor | B | 6.13 | pKi | 736 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2819-2823 [PMID:15911261] |
| ChEMBL | Displacement of europium labeled NDP-alpha-MSH from human MC3 receptor expressed in HEK293 cells | B | 6.9 | pKi | 125 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 1223-1228 [PMID:18078748] |
| ChEMBL | Evaluated for binding affinity against human Melanocortin-3 receptor (hMC3R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells | B | 6.12 | pIC50 | 761 | nM | IC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC3R expressed in CHO cells | B | 6.12 | pIC50 | 761 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 3430-3433 [PMID:15951175] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in CHO cells | B | 6.12 | pIC50 | 761 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 1130-1133 [PMID:16364639] |
| ChEMBL | Evaluated for Functional Activity at MC3R as effective concentration at 50% maximum CMP accumulation | F | 5.6 | pEC50 | 2487 | nM | EC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Functional activity as concentration at 50% maximum cAMP accumulation in human melanocortin 1 (MC3R) receptor | F | 5.6 | pEC50 | 2487 | nM | EC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Activity against human MC3R by cAMP accumulation | F | 5.6 | pEC50 | 2487 | nM | EC50 | Bioorg Med Chem Lett (2006) 16: 1130-1133 [PMID:16364639] |
| ChEMBL | In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 3 receptor (hMC3R) | F | 5.85 | pEC50 | 1400 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 3793-3796 [PMID:14552781] |
| ChEMBL | Agonist activity at human MC3 receptor expressed in HEK293 cells | F | 6.8 | pEC50 | 160 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 1223-1228 [PMID:18078748] |
| MC3 receptor/Melanocortin receptor 3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4023] [GtoPdb: 284] [UniProtKB: P32244] | ||||||||
| ChEMBL | Evaluated for binding affinity against rat Melanocortin-3 receptor (rMC3R) by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells | B | 5.73 | pIC50 | 1883 | nM | IC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Functional activity as concentration at 50% maximum cAMP accumulation in rat Melanocortin-3 receptor (rMC3R) | F | 5.88 | pEC50 | 1325 | nM | EC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| MC4 receptor/Melanocortin receptor 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL259] [GtoPdb: 285] [UniProtKB: P32245] | ||||||||
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from MC4R D122A mutant expressed in HEK293 cells | B | 6.19 | pKi | 646 | nM | Ki | J Med Chem (2004) 47: 6821-6830 [PMID:15615531] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y287A expressed in HEK293 cells | B | 6.89 | pKi | 129 | nM | Ki | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from mutant MC4R I129A expressed in HEK293 cells | B | 7.09 | pKi | 81 | nM | Ki | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH | B | 7.1 | pKi | 80 | nM | Ki | J Med Chem (2004) 47: 4613-4626 [PMID:15317471] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y268A expressed in HEK293 cells | B | 7.3 | pKi | 50 | nM | Ki | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from mutant MC4R F184L expressed in HEK293 cells | B | 7.42 | pKi | 38 | nM | Ki | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor | B | 7.48 | pKi | 33 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 4417-4423 [PMID:15357964] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from mutant MC4R I125A expressed in HEK293 cells | B | 7.7 | pKi | 20 | nM | Ki | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Displacement of [125]NDP-MSH from human MC4 receptor expressed in HEK293 cells | B | 8.01 | pKi | 9.8 | nM | Ki | J Med Chem (2004) 47: 6821-6830 [PMID:15615531] |
| ChEMBL | Inhibitory activity towards human Melanocortin 4 Receptor | B | 8.05 | pKi | 9 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2819-2823 [PMID:15911261] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y287F expressed in HEK293 cells | B | 8.07 | pKi | 8.5 | nM | Ki | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from human wild type MC4R expressed in HEK293 cells | B | 8.17 | pKi | 6.7 | nM | Ki | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from mutant MC4R I291A expressed in HEK293 cells | B | 8.3 | pKi | 5 | nM | Ki | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from mutant MC4R Y268F expressed in HEK293 cells | B | 8.34 | pKi | 4.6 | nM | Ki | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from mutant MC4R F184A expressed in HEK293 cells | B | 8.49 | pKi | 3.2 | nM | Ki | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Displacement of europium labeled NDP-alpha-MSH from human MC4 receptor expressed in HEK293 cells | B | 8.52 | pKi | 3 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 1223-1228 [PMID:18078748] |
| ChEMBL | Binding affinity towards Melanocortin 4 receptor using [125I]NDP-MSH | B | 10.3 | pKi | 0.05 | nM | Ki | J Med Chem (2004) 47: 4613-4626 [PMID:15317471] |
| ChEMBL | Binding activity was measured using membranes of Hi5 cells expressing the human MC4R receptors | B | 8.05 | pIC50 | 9 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 4341-4344 [PMID:14643322] |
| GtoPdb | - | - | 8.9 | pIC50 | 1.26 | nM | IC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Evaluated for binding affinity against Melanocortin-4 receptor by displacing [125I]-NDP-alpha-MSH radioligand expressed in CHO cells | B | 8.92 | pIC50 | 1.2 | nM | IC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Evaluated for binding affinity against human Melanocortin-4 receptor (hMC4R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells | B | 8.92 | pIC50 | 1.2 | nM | IC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC4R expressed in CHO cells | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 3430-3433 [PMID:15951175] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from human MC4R expressed in CHO cells | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 1130-1133 [PMID:16364639] |
| ChEMBL | Displacement of [125]NDP-MSH from human MC4 receptor expressed in HEK293 cells | B | 8.92 | pIC50 | 1.2 | nM | IC50 | J Med Chem (2004) 47: 6821-6830 [PMID:15615531] |
| ChEMBL | Agonist activity at the mutant MC4R I291A expressed in HEK293 cells by cAMP accumulation | F | 6 | pEC50 | >1000 | nM | EC50 | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Agonist activity at human MC4 D122A mutant expressed in HEK293 cells assessed as stimulation of cAMP production | F | 7.31 | pEC50 | 49 | nM | EC50 | J Med Chem (2004) 47: 6821-6830 [PMID:15615531] |
| ChEMBL | Agonist activity at the mutant MC4R I129A expressed in HEK293 cells by cAMP accumulation | F | 7.39 | pEC50 | 41 | nM | EC50 | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Agonist activity at the mutant MC4R Y287A expressed in HEK293 cells by cAMP accumulation | F | 7.59 | pEC50 | 26 | nM | EC50 | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Agonist activity at the mutant MC4R I125A expressed in HEK293 cells by cAMP accumulation | F | 7.92 | pEC50 | 12 | nM | EC50 | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Agonist activity at the mutant MC4R F184L expressed in HEK293 cells by cAMP accumulation | F | 8.07 | pEC50 | 8.5 | nM | EC50 | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Effective concentration against cAMP release in CHO cells expressing human melanocortin-4 receptor | F | 8.24 | pEC50 | 5.7 | nM | EC50 | Bioorg Med Chem Lett (2004) 14: 4417-4423 [PMID:15357964] |
| ChEMBL | Agonistic activity measured as inhibition of cAMP accumulation in HEK cells expressing human Melanocortin 4 receptor (hMC4R) | F | 8.4 | pEC50 | 4 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 3793-3796 [PMID:14552781] |
| ChEMBL | Stimulation of adenylate cyclase in HEK293 cells expressing the human MC4R receptor was determined by measuring cAMP accumulation using the RPA559 SPA assay | F | 8.44 | pEC50 | 3.6 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 4341-4344 [PMID:14643322] |
| ChEMBL | Activity against human MC4R by cAMP accumulation | F | 8.68 | pEC50 | 2.1 | nM | EC50 | Bioorg Med Chem Lett (2006) 16: 1130-1133 [PMID:16364639] |
| ChEMBL | Evaluated for Functional Activity at Melanocortin-4 receptor as effective concentration at 50% maximum CMP accumulation | F | 8.68 | pEC50 | 2.1 | nM | EC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Agonist activity at human MC4 receptor | F | 8.68 | pEC50 | 2.1 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 1223-1228 [PMID:18078748] |
| ChEMBL | Functional activity as concentration at 50% maximum cAMP accumulation in human Melanocortin-4 receptor | F | 8.68 | pEC50 | 2.1 | nM | EC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Agonist activity at the mutant MC4R Y268F expressed in HEK293 cells by cAMP accumulation | F | 8.82 | pEC50 | 1.5 | nM | EC50 | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Agonist activity at human MC4 receptor expressed in HEK293 cells assessed as stimulation of cAMP production | F | 8.84 | pEC50 | 1.45 | nM | EC50 | J Med Chem (2004) 47: 6821-6830 [PMID:15615531] |
| ChEMBL | Agonist activity at the human wild type MC4R expressed in HEK293 cells by cAMP accumulation | F | 8.92 | pEC50 | 1.2 | nM | EC50 | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Agonist activity at human MC4 receptor expressed in HEK293 cells | F | 9 | pEC50 | 1 | nM | EC50 | Bioorg Med Chem Lett (2008) 18: 1223-1228 [PMID:18078748] |
| ChEMBL | Agonist activity at the mutant MC4R Y268A expressed in HEK293 cells by cAMP accumulation | F | 9.09 | pEC50 | 0.82 | nM | EC50 | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Agonist activity at the mutant MC4R F184A expressed in HEK293 cells by cAMP accumulation | F | 9.15 | pEC50 | 0.71 | nM | EC50 | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| ChEMBL | Agonist activity at the mutant MC4R Y287F expressed in HEK293 cells by cAMP accumulation | F | 9.21 | pEC50 | 0.61 | nM | EC50 | J Med Chem (2006) 49: 911-922 [PMID:16451057] |
| MC4 receptor/Melanocortin receptor 4 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3719] [GtoPdb: 285] [UniProtKB: P56450] | ||||||||
| ChEMBL | In vitro cAMP accumulation in Y1 cells transfected with mouse Melanocortin 4 receptor (mMC4R) | F | 8.12 | pEC50 | 7.6 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 3793-3796 [PMID:14552781] |
| MC4 receptor/Melanocortin receptor 4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2700] [GtoPdb: 285] [UniProtKB: P70596] | ||||||||
| ChEMBL | Evaluated for binding affinity against rat Melanocortin-4 receptor (rMC4R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells | B | 9.22 | pIC50 | 0.6 | nM | IC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Functional activity as concentration at 50% maximum cAMP accumulation in rat Melanocortin-4 receptor (rMC4R) | F | 8.54 | pEC50 | 2.9 | nM | EC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| MC5 receptor/Melanocortin receptor 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4608] [GtoPdb: 286] [UniProtKB: P33032] | ||||||||
| ChEMBL | Binding affinity towards Melanocortin 5 receptor using [125I]NDP-MSH | B | 5.3 | pKi | 5000 | nM | Ki | J Med Chem (2004) 47: 4613-4626 [PMID:15317471] |
| ChEMBL | Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-5 receptor | B | 6.07 | pKi | 860 | nM | Ki | Bioorg Med Chem Lett (2004) 14: 4417-4423 [PMID:15357964] |
| ChEMBL | Evaluated for binding affinity against human melanocortin 5 (hMC5R) receptor by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells | B | 6.49 | pIC50 | 326 | nM | IC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Concentration required for 50% inhibition by displacement of of [125I]NDP-alpha-MSH of human MC5R expressed in CHO cells | B | 6.49 | pIC50 | 326 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 3430-3433 [PMID:15951175] |
| ChEMBL | Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in CHO cells | B | 6.49 | pIC50 | 326 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 1130-1133 [PMID:16364639] |
| ChEMBL | In vitro cAMP accumulation in HEK cells transfected with human Melanocortin 5 receptor (hMC5R) | F | 5.57 | pEC50 | 2700 | nM | EC50 | Bioorg Med Chem Lett (2003) 13: 3793-3796 [PMID:14552781] |
| ChEMBL | Functional activity as concentration at 50% maximum cAMP accumulation in human melanocortin 1 (MC5R) receptor | F | 6.13 | pEC50 | 737 | nM | EC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Activity against human MC5R by cAMP accumulation | F | 6.13 | pEC50 | 737 | nM | EC50 | Bioorg Med Chem Lett (2006) 16: 1130-1133 [PMID:16364639] |
| ChEMBL | Evaluated for Functional Activity at MC5R as effective concentration at 50% maximum CMP accumulation | F | 6.13 | pEC50 | 736 | nM | EC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| MC5 receptor/Melanocortin receptor 5 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2701] [GtoPdb: 286] [UniProtKB: P35345] | ||||||||
| ChEMBL | Evaluated for binding affinity against rat Melanocortin-5 receptor (rMC5R) by displacing [125I]NDP-alpha-MSH radioligand expressed in CHO cells | B | 5.8 | pIC50 | 1575 | nM | IC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
| ChEMBL | Functional activity as concentration at 50% maximum cAMP accumulation in rat Melanocortin-5 receptor (rMC5R) | F | 5.52 | pEC50 | >3000 | nM | EC50 | J Med Chem (2002) 45: 4589-4593 [PMID:12361385] |
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]
