pramipexole [Ligand Id: 953] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL301265 (Mirapexin, Neliprax, NSC-760426, Oprymea, Pipexus, Pramipexole, SUD-919CL2Y, SUD919CL2Y, U-98528E) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| β2-adrenoceptor/Beta-2 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL210] [GtoPdb: 29] [UniProtKB: P07550] | ||||||||
| ChEMBL | Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells | B | 4 | pKi | 100000 | nM | Ki | Bioorg Med Chem (2016) 24: 2641-2653 [PMID:27132867] |
| D1 receptor/Dopamine D1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728] | ||||||||
| ChEMBL | Agonist activity at human recombinant dopamine D1 receptor expressed in CHO cells assessed as stimulation of cAMP production | F | 5 | pEC50 | >10000 | nM | EC50 | Bioorg Med Chem (2008) 16: 3438-3444 [PMID:18313303] |
| Dopamine D1 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2967] [UniProtKB: Q95136] | ||||||||
| ChEMBL | Inhibition constant against [3H]SCH-23390 binding to Dopamine receptor D1 in bovine striatal membranes | B | 4.7 | pKi | >20000 | nM | Ki | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | Binding affinity (low) towards bovine dopamine receptor 1 by using [3H]-SCH- 23390 (0.3 nM) as radioligand | B | 4.7 | pKi | >20000 | nM | Ki | J Med Chem (2005) 48: 5771-5779 [PMID:16134944] |
| D1 receptor/Dopamine D1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL265] [GtoPdb: 214] [UniProtKB: P18901] | ||||||||
| ChEMBL | Displacement of [3H]SCH23390 from D1-like receptor in Sprague-Dawley rat striatum | B | 4 | pKi | >100000 | nM | Ki | J Med Chem (2008) 51: 5905-5908 [PMID:18785726] |
| D2 receptor/Dopamine D2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | Low binding affinity towards human dopamine receptor 2 (long) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand | B | 5.2 | pKi | 6300 | nM | Ki | J Med Chem (2005) 48: 5771-5779 [PMID:16134944] |
| ChEMBL | Low inhibition constant against [3H]spiperone binding to human Dopamine receptor D2L expressed in CHO cells | B | 5.2 | pKi | 6300 | nM | Ki | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | Low inhibition constant against [3H]spiperone binding to human Dopamine receptor D2S expressed in CHO cells | B | 5.72 | pKi | 1900 | nM | Ki | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | Low binding affinity towards human dopamine receptor 2 (short) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand | B | 5.72 | pKi | 1900 | nM | Ki | J Med Chem (2005) 48: 5771-5779 [PMID:16134944] |
| ChEMBL | in vitro low binding affinity was determined on human Dopamine receptor D2L expressed in chinese hamster ovary(CHO) K-1 cells using [3H]-spiperone as radioligand. | B | 6.86 | pKi | 139 | nM | Ki | J Med Chem (2000) 43: 3549-3557 [PMID:11000009] |
| ChEMBL | Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells | B | 7.22 | pKi | 60 | nM | Ki | Bioorg Med Chem (2016) 24: 2641-2653 [PMID:27132867] |
| ChEMBL | Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D2 short (high/low affinity is given as 40/3600) | B | 7.4 | pKi | 40 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 2377-2380 [PMID:12161137] |
| GtoPdb | - | - | 7.4 | pKi | - | - | - |
Neuroreport (1995) 6: 329-332 [PMID:7756621]; Eur J Pharmacol (1995) 290: 29-36 [PMID:7664822] |
| ChEMBL | Binding affinity of compound measured using [3H]-spiperone for the cloned human dopamine receptor D2 long (high/low affinity is given as 27/5400) | B | 7.57 | pKi | 27 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 2377-2380 [PMID:12161137] |
| ChEMBL | High inhibition constant against [3H]spiperone binding to human Dopamine receptor D2S expressed in CHO cells | B | 7.68 | pKi | 21 | nM | Ki | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | High binding affinity towards human dopamine receptor 2 (long) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand | B | 7.68 | pKi | 21 | nM | Ki | J Med Chem (2005) 48: 5771-5779 [PMID:16134944] |
| ChEMBL | High binding affinity towards human dopamine receptor 2 (short) expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand | B | 7.68 | pKi | 21 | nM | Ki | J Med Chem (2005) 48: 5771-5779 [PMID:16134944] |
| ChEMBL | High inhibition constant against [3H]spiperone binding to human Dopamine receptor D2L expressed in CHO cells | B | 7.68 | pKi | 21 | nM | Ki | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | Antagonist activity at human D2 dopamine receptor expressed in CHO cell membrane by GTPgammaS-binding assay | F | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 543-547 [PMID:23237836] |
| ChEMBL | Agonist activity at human D2S receptor expressed in HEK293T cell membranes coexpressing Galphao1 assessed as induction of nucleotide exchange preincubated for 30 mins followed by addition of [35S]GTPgammaS measured after 30 mins by [35S]GTPgammaS binding assay | F | 7 | pEC50 | 100 | nM | EC50 | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Agonist activity at human recombinant dopamine D2 receptor expressed in rat pituitary cells assessed as inhibition of forskolin-stimulated cAMP accumulation | F | 7.57 | pEC50 | 27 | nM | EC50 | Bioorg Med Chem Lett (2007) 17: 6691-6696 [PMID:17976986] |
| ChEMBL | Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 assessed as induction of beta-arrestin2 recruitment after 5 hrs by chemiluminescence assay | B | 7.57 | pEC50 | 27 | nM | EC50 | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Partial agonist activity at human D2SR expressed in HEK293T cells co-expressing (EA)beta-arrestin2 and GRK2 assessed as induction of beta-arrestin2 recruitment after 5 hrs by chemiluminescence assay | B | 8.02 | pEC50 | 9.6 | nM | EC50 | J Med Chem (2017) 60: 4693-4713 [PMID:28489379] |
| ChEMBL | Agonist activity at dopamine D2 receptor short isoform (unknown origin) expressed in mouse NIH/3T3 cells by R-SAT assay | B | 8.15 | pEC50 | 7.08 | nM | EC50 | US-20040213816-A1. Selective serotonin 2A/2C receptor inverse agonists as therapeutics for neurodegenerative diseases (2004) |
| ChEMBL | Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP production | F | 8.3 | pEC50 | 5 | nM | EC50 | Bioorg Med Chem (2008) 16: 3438-3444 [PMID:18313303] |
| Dopamine D2 receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3998] [UniProtKB: P20288] | ||||||||
| ChEMBL | Binding affinity of compound against Dopamine receptor D2 was measured using [3H]pramipexole in Bovine striatal membranes | B | 8.8 | pKd | 1.6 | nM | Kd | Bioorg Med Chem Lett (2002) 12: 2377-2380 [PMID:12161137] |
| D2 receptor/Dopamine D2 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL339] [GtoPdb: 215] [UniProtKB: P61169] | ||||||||
| ChEMBL | Displacement of [3H]Spiperone from Sprague-Dawley rat dopamine D2-like receptor after 90 mins | B | 7.41 | pKi | 39 | nM | Ki | ACS Med Chem Lett (2011) 2: 620-625 [PMID:22125662] |
| ChEMBL | Displacement of [3H]Spiperone from D2 receptor in Sprague-Dawley rat caudate-putamen | B | 8.51 | pKi | 3.1 | nM | Ki | J Med Chem (2008) 51: 5905-5908 [PMID:18785726] |
| ChEMBL | Affinity of the Compound for Dopamine receptor D2 in rat striatal membrane was determined in vitro using Dopamine Antagonist [3H]spiperone as ligand | F | 5.33 | pIC50 | 4700 | nM | IC50 | Bioorg Med Chem Lett (1991) 1: 189-192 |
| ChEMBL | Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D2 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting | B | 6.35 | pIC50 | 450 | nM | IC50 | Med Chem Res (2004) 13: 25-33 |
| ChEMBL | Agonist activity at Rattus norvegicus (rat) dopamine D2 receptor transfected in african green monkey COS7 cells assessed as inhibition of forskolin-stimulated adenylyl cyclase activity after 10 min | F | 7.67 | pEC50 | 21.5 | nM | EC50 | Med Chem Res (2004) 13: 25-33 |
| ChEMBL | Effective concentration required for agonistic activity against rat D2 short receptor | F | 7.92 | pEC50 | 12 | nM | EC50 | Bioorg Med Chem Lett (2002) 12: 2377-2380 [PMID:12161137] |
| ChEMBL | Effective concentration to stimulate rat Dopamine receptor D2S mediated [3H]thymidine incorporation into growing cells using mitogenesis assay | B | 7.92 | pEC50 | 12 | nM | EC50 | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | Effective concentration required for agonistic activity against rat D2 long receptor | F | 8.04 | pEC50 | 9.2 | nM | EC50 | Bioorg Med Chem Lett (2002) 12: 2377-2380 [PMID:12161137] |
| ChEMBL | Effective concentration to stimulate rat Dopamine receptor D2L mediated [3H]thymidine incorporation into growing cells using mitogenesis assay | B | 8.04 | pEC50 | 9.2 | nM | EC50 | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D2L by mitogenesis assay | F | 8.77 | pEC50 | 1.7 | nM | EC50 | J Med Chem (2000) 43: 3549-3557 [PMID:11000009] |
| D3 receptor/Dopamine D3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | Low inhibition constant against [3H]spiperone binding to human Dopamine receptor D3 expressed in CHO cells | B | 7.42 | pKi | 38 | nM | Ki | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | Low binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand | B | 7.42 | pKi | 38 | nM | Ki | J Med Chem (2005) 48: 5771-5779 [PMID:16134944] |
| ChEMBL | Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing NaCl by topcount assay | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2020) 63: 5526-5567 [PMID:32342685] |
| ChEMBL | Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer by topcount assay | B | 7.89 | pKi | 13 | nM | Ki | J Med Chem (2020) 63: 5526-5567 [PMID:32342685] |
| ChEMBL | Agonist activity at dopamine D3 receptor (unknown origin) | B | 8.07 | pKi | 8.5 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 5586-5591 [PMID:24012118] |
| ChEMBL | Displacement of [3H]-methylspiperon from human D3R expressed in HEK293 cell membranes measured after 90 mins in EBSS buffer by topcount assay | B | 8.09 | pKi | 8.2 | nM | Ki | J Med Chem (2020) 63: 5526-5567 [PMID:32342685] |
| ChEMBL | Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer containing NaCl by topcount assay | B | 8.25 | pKi | 5.6 | nM | Ki | J Med Chem (2020) 63: 5526-5567 [PMID:32342685] |
| ChEMBL | in vitro low binding affinity was determined on human Dopamine receptor D3 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radioligand. | B | 8.56 | pKi | 2.78 | nM | Ki | J Med Chem (2000) 43: 3549-3557 [PMID:11000009] |
| GtoPdb | - | - | 8.7 | pKi | - | - | - |
Neuroreport (1995) 6: 329-332 [PMID:7756621]; Eur J Pharmacol (1995) 290: 29-36 [PMID:7664822] |
| ChEMBL | Displacement of [3H]-(R)-(+)-7-OH-DPAT from recombinant human D3 receptor expressed in HEK293 cell membranes measured after 90 mins by microbeta scintillation counting analysis | B | 8.88 | pKi | 1.32 | nM | Ki | J Med Chem (2019) 62: 6287-6314 [PMID:31257877] |
| ChEMBL | Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in EBSS buffer by topcount assay | B | 8.96 | pKi | 1.1 | nM | Ki | J Med Chem (2020) 63: 5526-5567 [PMID:32342685] |
| ChEMBL | Displacement of [3H]-7-OH-DPAT from human D3R expressed in HEK293 cell membranes measured after 90 mins in Tris buffer by topcount assay | B | 9.03 | pKi | 0.94 | nM | Ki | J Med Chem (2020) 63: 5526-5567 [PMID:32342685] |
| ChEMBL | Displacement of [3H]-N-methylspiperone from D3 receptor (unknown origin) measured after 90 mins by microbeta scintillation counting method | B | 9.05 | pKi | 0.9 | nM | Ki | J Med Chem (2020) 63: 5526-5567 [PMID:32342685] |
| ChEMBL | High binding affinity towards human dopamine receptor 3 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand | B | 9.06 | pKi | 0.88 | nM | Ki | J Med Chem (2005) 48: 5771-5779 [PMID:16134944] |
| ChEMBL | High inhibition constant against [3H]spiperone binding to human Dopamine receptor D3 expressed in CHO cells | B | 9.06 | pKi | 0.88 | nM | Ki | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | Binding affinity of compound measured using [3H]-spiperone for the cloned human Dopamine receptor D3 (high/low affinity is given as 0.87/44) | B | 9.06 | pKi | 0.87 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 2377-2380 [PMID:12161137] |
| ChEMBL | Inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3 expressed in CHO cells | B | 9.14 | pKi | 0.72 | nM | Ki | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | Agonist activity at human D3R expressed in CHOK1 cells assessed as induction of beta-arrestin recruitment measured after 90 mins by beta-galactosidase based PathHunter assay | B | 8.27 | pEC50 | 5.4 | nM | EC50 | J Med Chem (2020) 63: 5526-5567 [PMID:32342685] |
| ChEMBL | Effective concentration required for agonistic activity against human D3 receptor | F | 8.82 | pEC50 | 1.5 | nM | EC50 | Bioorg Med Chem Lett (2002) 12: 2377-2380 [PMID:12161137] |
| ChEMBL | Effective concentration to stimulate human Dopamine receptor D3 mediated [3H]-thymidine incorporation into growing cells using mitogenesis assay | B | 8.82 | pEC50 | 1.5 | nM | EC50 | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | Effective concentration against dopamine D3 receptor | B | 8.82 | pEC50 | 1.5 | nM | EC50 | J Med Chem (2005) 48: 5771-5779 [PMID:16134944] |
| ChEMBL | Agonist activity at human recombinant dopamine D3 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP accumulation | F | 9 | pEC50 | 1 | nM | EC50 | Bioorg Med Chem Lett (2007) 17: 6691-6696 [PMID:17976986] |
| D3 receptor/Dopamine D3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3138] [GtoPdb: 216] [UniProtKB: P19020] | ||||||||
| ChEMBL | Displacement of [3H]PD128907 from dopamine D3 receptor in Sprague-Dawley rat ventral striatum | B | 9.11 | pKi | 0.78 | nM | Ki | J Med Chem (2008) 51: 5905-5908 [PMID:18785726] |
| ChEMBL | Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates | B | 9.11 | pKi | 0.78 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 5612-5617 [PMID:22871578] |
| ChEMBL | Displacement of [3H]R(+)-7-OH-DPAT from Sprague-Dawley rat dopamine D3 receptor after 90 mins | B | 9.35 | pKi | 0.45 | nM | Ki | ACS Med Chem Lett (2011) 2: 620-625 [PMID:22125662] |
| ChEMBL | Displacement of [3H]nemonapride from Rattus norvegicus (rat) wild type dopamine D3 receptor transfected in african green monkey COS7 cells after 1 hr by beta scintillation counting | B | 8.11 | pIC50 | 7.8 | nM | IC50 | Med Chem Res (2004) 13: 25-33 |
| ChEMBL | Effective concentration was determined as thymidine uptake in CHO-L6 cells transfected with the rat Dopamine receptor D3 by mitogenesis assay | F | 9.68 | pEC50 | 0.21 | nM | EC50 | J Med Chem (2000) 43: 3549-3557 [PMID:11000009] |
| D4 receptor/Dopamine D4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917] | ||||||||
| ChEMBL | in vitro low binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radioligand. | B | 6.86 | pKi | 138 | nM | Ki | J Med Chem (2000) 43: 3549-3557 [PMID:11000009] |
| ChEMBL | Low inhibition constant against [3H]spiperone binding to human Dopamine receptor D4.4 expressed in CHO cells | B | 6.89 | pKi | 130 | nM | Ki | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | Low binding affinity towards human dopamine receptor 4.4 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand | B | 6.89 | pKi | 130 | nM | Ki | J Med Chem (2005) 48: 5771-5779 [PMID:16134944] |
| ChEMBL | Binding affinity of compound measured using [3H]spiperone for the cloned human dopamine receptor D4.4 (high/low affinity is given as 8.5/130) | B | 8.07 | pKi | 8.5 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 2377-2380 [PMID:12161137] |
| ChEMBL | High binding affinity towards human dopamine receptor 4.4 expressed in Chinese hamster ovary cells using [3H]spiperone (0.5 nM) as radioligand | B | 8.09 | pKi | 8.1 | nM | Ki | J Med Chem (2005) 48: 5771-5779 [PMID:16134944] |
| ChEMBL | High inhibition constant against [3H]spiperone binding to human Dopamine receptor D4.4 expressed in CHO cells | B | 8.09 | pKi | 8.1 | nM | Ki | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| ChEMBL | in vitro high binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radioligand. | B | 8.56 | pKi | 2.76 | nM | Ki | J Med Chem (2000) 43: 3549-3557 [PMID:11000009] |
| ChEMBL | in vitro high binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radioligand. | B | 8.68 | pKi | 2.07 | nM | Ki | J Med Chem (2000) 43: 3549-3557 [PMID:11000009] |
| ChEMBL | in vitro high binding affinity was determined on human Dopamine receptor D4 expressed in chinese hamster ovary(CHO) K-1 cells using [3H]spiperone as radioligand. | B | 9.31 | pKi | 0.49 | nM | Ki | J Med Chem (2000) 43: 3549-3557 [PMID:11000009] |
| ChEMBL | Effective concentration required for agonistic activity against human D4.2 receptor | F | 7.82 | pEC50 | 15 | nM | EC50 | Bioorg Med Chem Lett (2002) 12: 2377-2380 [PMID:12161137] |
| ChEMBL | Effective concentration to stimulate human Dopamine receptor D4.2 mediated [3H]thymidine incorporation into growing cells using mitogenesis assay | B | 7.82 | pEC50 | 15 | nM | EC50 | J Med Chem (2005) 48: 2493-2508 [PMID:15801839] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | Agonist activity at 5HT2A receptor (unknown origin) expressed in mouse NIH/3T3 cells by R-SAT assay | B | 5.93 | pEC50 | 1174.9 | nM | EC50 | US-20040213816-A1. Selective serotonin 2A/2C receptor inverse agonists as therapeutics for neurodegenerative diseases (2004) |
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]
