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ChEMBL ligand: CHEMBL493 (2-bromo-.alpha.-ergocryptine, Bromergocryptine, Bromocriptine, CB-154, Ergocryptine, 2-bromo-, Parlodel, SANDOZ 15-754) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
---|---|---|---|---|---|---|---|---|
α1A-adrenoceptor/Alpha-1a adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL319] [GtoPdb: 22] [UniProtKB: P43140] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | B | 8.55 | pKi | 2.82 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | B | 8.16 | pIC50 | 6.96 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α1B-adrenoceptor/Alpha-1b adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL315] [GtoPdb: 23] [UniProtKB: P15823] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | B | 8.71 | pKi | 1.96 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | B | 8.45 | pIC50 | 3.55 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α1D-adrenoceptor/Alpha-1d adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL223] [GtoPdb: 24] [UniProtKB: P25100] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | B | 7.82 | pKi | 15 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | B | 7.52 | pIC50 | 30 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913] | ||||||||
ChEMBL | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | B | 8.26 | pKi | 5.53 | nM | Ki | DrugMatrix in vitro pharmacology data |
GtoPdb | - | - | 8.3 | pKi | - | - | - |
J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666]; Pharmacol Res Perspect (2022) 10: e01003 [PMID:36101495] |
ChEMBL | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | B | 7.82 | pIC50 | 15 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089] | ||||||||
GtoPdb | - | - | 7.5 | pKi | - | - | - |
J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666]; Pharmacol Res Perspect (2022) 10: e00936 [PMID:35224877] |
ChEMBL | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | B | 7.8 | pKi | 16 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | B | 7.46 | pIC50 | 35 | nM | IC50 | DrugMatrix in vitro pharmacology data |
α2C-adrenoceptor/Alpha-2c adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825] | ||||||||
ChEMBL | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | B | 7.12 | pKi | 76 | nM | Ki | DrugMatrix in vitro pharmacology data |
GtoPdb | - | - | 7.6 | pKi | - | - | - |
J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666]; Pharmacol Res Perspect (2022) 10: e01003 [PMID:36101495] |
ChEMBL | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | B | 6.28 | pIC50 | 520 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [UniProtKB: P37840] | ||||||||
ChEMBL | Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 6 days by thioflavin S based fluorescence assay | B | 4.61 | pIC50 | 24700 | nM | IC50 | Eur J Med Chem (2019) 167: 10-36 [PMID:30743095] |
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207] | ||||||||
ChEMBL | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) | B | 5.82 | pKi | 1521 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) | B | 5.64 | pIC50 | 2281 | nM | IC50 | DrugMatrix in vitro pharmacology data |
β1-adrenoceptor/Beta-1 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL213] [GtoPdb: 28] [UniProtKB: P08588] | ||||||||
ChEMBL | DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) | B | 5.86 | pKi | 1386 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Adrenergic beta1 radioligand binding (ligand: [125I] Cyanopindolol) | B | 5.62 | pIC50 | 2400 | nM | IC50 | DrugMatrix in vitro pharmacology data |
CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] | ||||||||
ChEMBL | DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) | B | 5.7 | pIC50 | 2000 | nM | IC50 | DrugMatrix in vitro pharmacology data |
D1 receptor/Dopamine D1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728] | ||||||||
ChEMBL | DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) | B | 5.84 | pKi | 1444 | nM | Ki | DrugMatrix in vitro pharmacology data |
GtoPdb | - | - | 6.2 | pKi | - | - | - |
J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666]; Nature (1991) 350: 614-9 [PMID:1826762] |
ChEMBL | DRUGMATRIX: Dopamine D1 radioligand binding (ligand: [3H] SCH-23390) | B | 5.54 | pIC50 | 2889 | nM | IC50 | DrugMatrix in vitro pharmacology data |
D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
ChEMBL | Displacement of [125]iodosulpride from human recombinant dopamine D2L receptor expressed in CHO cells after 30 mins | B | 7.82 | pKi | 15 | nM | Ki | J Med Chem (2014) 57: 5823-5828 [PMID:24878269] |
ChEMBL | Displacement of [125]iodosulpride from human recombinant dopamine D2L receptor expressed in CHO cells after 30 mins | B | 7.83 | pKi | 14.79 | nM | Ki | J Med Chem (2014) 57: 5823-5828 [PMID:24878269] |
ChEMBL | Binding affinity towards Dopamine receptor D2 by displacement of [3H]U-86170. | B | 8 | pKi | 10 | nM | Ki | J Med Chem (1997) 40: 639-646 [PMID:9057850] |
GtoPdb | - | - | 8.3 | pKi | - | - | - |
J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666]; J Pharmacol Exp Ther (1994) 268: 417-26 [PMID:8301582]; Neuroreport (1995) 6: 329-332 [PMID:7756621] |
ChEMBL | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | B | 9.28 | pKi | 0.53 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | B | 8.8 | pIC50 | 1.58 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ChEMBL | Agonist activity at dopamine D2 receptor short isoform (unknown origin) expressed in mouse NIH/3T3 cells by R-SAT assay | B | 9.3 | pEC50 | 0.5 | nM | EC50 | US-20040213816-A1. Selective serotonin 2A/2C receptor inverse agonists as therapeutics for neurodegenerative diseases (2004) |
D2 receptor/Dopamine D2 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL339] [GtoPdb: 215] [UniProtKB: P61169] | ||||||||
ChEMBL | In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. | B | 7.77 | pKd | 17 | nM | Kd | J Med Chem (2000) 43: 3005-3019 [PMID:10956209] |
ChEMBL | In vitro affinity at wild type Dopamine receptor D2 on C6 (glioma) cell membranes. | B | 8.1 | pKd | 8 | nM | Kd | J Med Chem (2000) 43: 3005-3019 [PMID:10956209] |
ChEMBL | In vitro affinity at mutant D2 receptor (S194A) in C6 (glioma) cell membranes. | B | 8.1 | pKd | 8 | nM | Kd | J Med Chem (2000) 43: 3005-3019 [PMID:10956209] |
ChEMBL | In vitro affinity at mutant D2 receptor (S197A) in C6 (glioma) cell membranes. | B | 8.4 | pKd | 4 | nM | Kd | J Med Chem (2000) 43: 3005-3019 [PMID:10956209] |
GtoPdb | - | - | 7.3 | pKi | - | - | - | Nature (1990) 347: 146-51 [PMID:1975644] |
D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
ChEMBL | Binding affinity towards Dopamine receptor D3 by displacement of [3H](+)-7-OH-DPAT. | B | 7.06 | pKi | 87 | nM | Ki | J Med Chem (1997) 40: 639-646 [PMID:9057850] |
GtoPdb | - | - | 8.2 | pKi | - | - | - |
J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666]; J Pharmacol Exp Ther (1994) 268: 417-26 [PMID:8301582]; Neuroreport (1995) 6: 329-332 [PMID:7756621] |
ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 9.69 | pKi | 0.2 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 9.22 | pIC50 | 0.6 | nM | IC50 | DrugMatrix in vitro pharmacology data |
D3 receptor in Rat [GtoPdb: 216] [UniProtKB: P19020] | ||||||||
GtoPdb | - | - | 7.1 | pKi | - | - | - | Nature (1990) 347: 146-51 [PMID:1975644] |
Genome polyprotein in Zika virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523954] [UniProtKB: A0A024AXB9] | ||||||||
ChEMBL | Inhibition of Zika virus NS2B-NS3 protease | B | 4.67 | pIC50 | 21600 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126965-126965 [PMID:31980339] |
ChEMBL | Inhibition of N-terminal His6-tagged Zika virus NS2B (49 to 95 residues) - NS3 (1 to 170 residues) protease domain expressed in Escherichia coli Bl21(DE3) using Bz-Nle-Lys-Lys-Arg-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by fluorescence based assay | B | 4.88 | pIC50 | 13040 | nM | IC50 | Eur J Med Chem (2019) 180: 536-545 [PMID:31344613] |
ChEMBL | Inhibition of NS2B-NS3 protease in Zika virus Puerto Rico/PRVABC5 infected in African green monkey Vero cells assessed as antiviral activity by measuring reduction in virus-induced cytopathic effect preincubated with cells for 2 hrs followed by compound wash out and subsequent virus addition along with compound and measured after 6 days by inverted light microscopy | B | 4.88 | pEC50 | 13040 | nM | EC50 | J Med Chem (2020) 63: 470-489 [PMID:31549836] |
ChEMBL | Inhibition of Zika virus NS2B-NS3 protease by cell based assay | B | 4.89 | pEC50 | 13000 | nM | EC50 | Bioorg Med Chem Lett (2020) 30: 126965-126965 [PMID:31980339] |
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
ChEMBL | TP_TRANSPORTER: increase in Vinblastine intracellular accumulation in MDR1-expressing LLC-PK1 cells | F | 5.4 | pKi | 3960 | nM | Ki | Mol Pharmacol (2002) 61: 964-973 [PMID:11961113] |
ChEMBL | TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in MDR1-expressing LLC-PK1 cells | F | 5.55 | pKi | 2810 | nM | Ki | Mol Pharmacol (2002) 61: 964-973 [PMID:11961113] |
P-glycoprotein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3467] [UniProtKB: P06795] | ||||||||
ChEMBL | TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1b-expressing LLC-PK1 cells | F | 5.19 | pKi | 6390 | nM | Ki | J Pharmacol Exp Ther (2002) 303: 323-332 [PMID:12235267] |
ABCB1/P-glycoprotein 3 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2573] [GtoPdb: 768] [UniProtKB: P21447] | ||||||||
ChEMBL | TP_TRANSPORTER: increase in Calcein-AM intracellular accumulation in mdr1a-expressing LLC-PK1 cells | F | 5.13 | pKi | 7480 | nM | Ki | J Pharmacol Exp Ther (2002) 303: 323-332 [PMID:12235267] |
5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908] | ||||||||
ChEMBL | Binding affinity towards Serotonin 5-hydroxytryptamine 1A receptor by displacement of [3H]-(+)-8-OH-DPAT. | B | 7.62 | pKi | 24 | nM | Ki | J Med Chem (1997) 40: 639-646 [PMID:9057850] |
GtoPdb | - | - | 7.9 | pKi | - | - | - | J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666] |
5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | B | 8.49 | pKi | 3.22 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | B | 8.25 | pIC50 | 5.63 | nM | IC50 | DrugMatrix in vitro pharmacology data |
5-HT1B receptor in Human [GtoPdb: 2] [UniProtKB: P28222] | ||||||||
GtoPdb | - | - | 6.5 | pKi | - | - | - | J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666] |
5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | B | 7.33 | pKi | 47 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1B radioligand binding (ligand: [125I] Cyanopindolol) | B | 6.99 | pIC50 | 103 | nM | IC50 | DrugMatrix in vitro pharmacology data |
5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
GtoPdb | - | - | 7 | pKi | - | - | - | J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666] |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | B | 8 | pKi | 10 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | B | 7.44 | pIC50 | 36 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ChEMBL | Agonist activity at 5HT2A receptor (unknown origin) expressed in mouse NIH/3T3 cells by R-SAT assay | B | 8.75 | pEC50 | 1.78 | nM | EC50 | US-20040213816-A1. Selective serotonin 2A/2C receptor inverse agonists as therapeutics for neurodegenerative diseases (2004) |
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
GtoPdb | - | - | 7.3 | pKi | - | - | - | J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666] |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 8.28 | pKi | 5.29 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 8.08 | pIC50 | 8.32 | nM | IC50 | DrugMatrix in vitro pharmacology data |
5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
GtoPdb | - | - | 6.1 | pKi | - | - | - | J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666] |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | B | 6.56 | pKi | 278 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | B | 6.27 | pIC50 | 532 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ChEMBL | Agonist activity at 5HT2C receptor VGV isoform (unknown origin) expressed in mouse NIH/3T3 cells by R-SAT assay | B | 5.8 | pEC50 | 1584.89 | nM | EC50 | US-20040213816-A1. Selective serotonin 2A/2C receptor inverse agonists as therapeutics for neurodegenerative diseases (2004) |
5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406] | ||||||||
ChEMBL | Binding affinity for human 5-hydroxytryptamine 6 receptor | B | 7.3 | pKi | <50 | nM | Ki | J Med Chem (2005) 48: 1781-1795 [PMID:15771424] |
GtoPdb | - | - | 7.5 | pKi | - | - | - | J Neurochem (1996) 66: 47-56 [PMID:8522988] |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 8 | pKi | 10 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 7.66 | pIC50 | 22 | nM | IC50 | DrugMatrix in vitro pharmacology data |
5-HT6 receptor in Rat [GtoPdb: 11] [UniProtKB: P31388] | ||||||||
GtoPdb | - | - | 7.5 | pKi | - | - | - | J Neurochem (1998) 71: 2169-77 [PMID:9798944] |
5-HT1D receptor in Human [GtoPdb: 3] [UniProtKB: P28221] | ||||||||
GtoPdb | - | - | 8 | pKi | - | - | - | J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666] |
5-HT7 receptor in Rat [GtoPdb: 12] [UniProtKB: P32305] | ||||||||
GtoPdb | - | - | 8 | pKi | - | - | - | J Biol Chem (1993) 268: 18200-4 [PMID:8394362] |
D4 receptor in Human [GtoPdb: 217] [UniProtKB: P21917] | ||||||||
GtoPdb | - | - | 6.4 | pKi | - | - | - | J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666] |
D5 receptor in Human [GtoPdb: 218] [UniProtKB: P21918] | ||||||||
GtoPdb | - | - | 6.3 | pKi | - | - | - |
J Pharmacol Exp Ther (2002) 303: 791-804 [PMID:12388666]; Nature (1991) 350: 614-9 [PMID:1826762] |
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]