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 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]
