mocetinostat [Ligand Id: 7008] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL272980 (MGCD-0103, MGCD0103, Mocetinostat) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG by automated patch clamp assay | B | 4.52 | pIC50 | >30000 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 4909-4912 [PMID:21742496] |
| ChEMBL | Inhibition of human ERG by automated Q-patch assay | B | 4.52 | pIC50 | >30000 | nM | IC50 | J Med Chem (2011) 54: 4752-4772 [PMID:21650221] |
| histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547] | ||||||||
| ChEMBL | Inhibition of human HDAC1 | B | 8.05 | pKi | 9 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| GtoPdb | - | - | 8.05 | pKi | 9 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human recombinant HDAC1 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 3 to 24 hrs by fluorescence assay | B | 6.02 | pIC50 | 950 | nM | IC50 | Bioorg Med Chem (2013) 21: 6981-6995 [PMID:24095018] |
| ChEMBL | Inhibition of HDAC1 | B | 6.09 | pIC50 | 820 | nM | IC50 | J Med Chem (2008) 51: 1505-1529 [PMID:18247554] |
| ChEMBL | Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay | B | 6.41 | pIC50 | 390 | nM | IC50 | Eur J Med Chem (2015) 95: 127-135 [PMID:25805446] |
| ChEMBL | Inhibition of recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus after 10 mins by fluorimetric analysis | B | 6.7 | pIC50 | 200 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 5684-5688 [PMID:19699639] |
| ChEMBL | Inhibition of human C-terminal Flag-tagged HDAC1 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry | B | 6.7 | pIC50 | 200 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) | B | 6.74 | pIC50 | 184 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 179-182 [PMID:23206867] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition by fluorescence assay | B | 6.77 | pIC50 | 171 | nM | IC50 | Medchemcomm (2015) 6: 1816-1825 |
| ChEMBL | Inhibition of purified recombinant HDAC1 | B | 6.82 | pIC50 | 152 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 4909-4912 [PMID:21742496] |
| ChEMBL | Inhibition of human recombinant HDAC1 | B | 6.82 | pIC50 | 150 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 644-649 [PMID:19114304] |
| ChEMBL | Inhibition of human recombinant HDAC1 homogeneous fluorescence release assay | B | 6.82 | pIC50 | 150 | nM | IC50 | J Med Chem (2008) 51: 4072-4075 [PMID:18570366] |
| ChEMBL | Inhibition of HDAC1 in HEK293 cells | B | 6.89 | pIC50 | 130 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1814-1819 [PMID:18308563] |
| ChEMBL | Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate | B | 6.99 | pIC50 | 102 | nM | IC50 | J Med Chem (2012) 55: 9891-9899 [PMID:23009203] |
| ChEMBL | Inhibition Assay: HDAC inhibition assays were performed by Reaction Biology Corp. (Malvern, Pa.) using isolated human, recombinant full-length HDAC1 and -6 from a baculovirus expression system in Sf9 cells. An acetylated fluorogenic peptide, RHKKAc, derived from residues 379-382 of p53 was used as substrate. The reaction buffer was made up of 50 mM Tris-HCl pH 8.0, 127 mM NaCl, 2.7 mM KCl, 1 mM MgCl2, 1 mg/mL BSA, and a final concentration of 1% DMSO. Compounds were delivered in DMSO and delivered to enzyme mixture with preincubation of 5-10 min followed by substrate addition and incubation for 2 h at 30° C. Trichostatin A and developer were added to quench the reaction and generate fluorescence, respectively. Dose-response curves were generated starting at 30 μM compound with three-fold serial dilutions to generate a 10-dose plot. | B | 6.99 | pIC50 | 102 | nM | IC50 | US-9409858-B2. Selective histone deactylase 6 inhibitors (2016) |
| ChEMBL | Inhibition of recombinant C-terminal FLAG-tagged HDAC1 (unknown origin) expressed in Escherichia coli BL21 using MAL as substrate incubated for 1 hr prior to substrate addition measured after 60 mins by fluorescence plate reader analysis | B | 7.01 | pIC50 | 98 | nM | IC50 | J Med Chem (2013) 56: 6156-6174 [PMID:23829483] |
| ChEMBL | Inhibition of C-flagged recombinant HDAC1 (unknown origin) pre-incubated for 1 hr before substrate addition by homogeneous fluorogenic HDAC assay | B | 7.01 | pIC50 | 98 | nM | IC50 | J Med Chem (2015) 58: 6803-6818 [PMID:26287310] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader | B | 7.17 | pIC50 | 68.2 | nM | IC50 | J Med Chem (2021) 64: 16573-16597 [PMID:34783558] |
| histone deacetylase 11/Histone deacetylase 11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3310] [GtoPdb: 2615] [UniProtKB: Q96DB2] | ||||||||
| ChEMBL | Inhibition of human C-terminal Flag-tagged HDAC11 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry | B | 6.22 | pIC50 | 600 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of human recombinant HDAC11 homogeneous fluorescence release assay | B | 6.23 | pIC50 | 590 | nM | IC50 | J Med Chem (2008) 51: 4072-4075 [PMID:18570366] |
| ChEMBL | Inhibition of recombinant full length human C-terminal FLAG-tagged HDAC11 expressed in baculovirus infected Sf9 cells using Boc-Lys(epsilon-Ac)-AMC as substrate pretreated for 10 mins followed by substrate addition by fluorometric method | B | 6.23 | pIC50 | 590 | nM | IC50 | Bioorg Med Chem Lett (2017) 27: 2943-2945 [PMID:28501514] |
| histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769] | ||||||||
| GtoPdb | - | - | 7.47 | pKi | 34 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human HDAC2 | B | 7.49 | pKi | 32.4 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human C-terminal Flag-tagged HDAC2 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry | B | 6.52 | pIC50 | 300 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of HDAC2 | B | 6.54 | pIC50 | 290 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 644-649 [PMID:19114304] |
| ChEMBL | Inhibition of human recombinant HDAC2 homogeneous fluorescence release assay | B | 6.54 | pIC50 | 290 | nM | IC50 | J Med Chem (2008) 51: 4072-4075 [PMID:18570366] |
| ChEMBL | Inhibition of HDAC2 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition by fluorescence assay | B | 6.55 | pIC50 | 283 | nM | IC50 | Medchemcomm (2015) 6: 1816-1825 |
| ChEMBL | Inhibition of HDAC2 (unknown origin) | B | 6.55 | pIC50 | 280 | nM | IC50 | Bioorg Med Chem (2013) 21: 6981-6995 [PMID:24095018] |
| ChEMBL | Inhibition of recombinant C-terminal FLAG-tagged HDAC2 expressed in baculovirus after 10 mins by fluorimetric analysis | B | 6.74 | pIC50 | 180 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 5684-5688 [PMID:19699639] |
| ChEMBL | Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay | B | 6.77 | pIC50 | 170 | nM | IC50 | Eur J Med Chem (2015) 95: 127-135 [PMID:25805446] |
| ChEMBL | Inhibition of recombinant His-tagged HDAC2 (1 to 488) (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins by fluorescence plate reader analysis | B | 7.66 | pIC50 | 22 | nM | IC50 | J Med Chem (2013) 56: 6156-6174 [PMID:23829483] |
| ChEMBL | Inhibition of His-tagged recombinant HDAC2 (1 to 488 residues) (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay | B | 7.66 | pIC50 | 22 | nM | IC50 | J Med Chem (2015) 58: 6803-6818 [PMID:26287310] |
| histone deacetylase 3/Histone deacetylase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379] | ||||||||
| ChEMBL | Inhibition of human HDAC3 | B | 6.58 | pKi | 265 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| GtoPdb | - | - | 6.58 | pKi | 265 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of human C-terminal Flag-tagged HDAC3 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry | B | 5.77 | pIC50 | 1700 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 3 to 24 hrs by fluorescence assay | B | 5.78 | pIC50 | 1670 | nM | IC50 | Bioorg Med Chem (2013) 21: 6981-6995 [PMID:24095018] |
| ChEMBL | Inhibition of human recombinant HDAC3 homogeneous fluorescence release assay | B | 5.78 | pIC50 | 1660 | nM | IC50 | J Med Chem (2008) 51: 4072-4075 [PMID:18570366] |
| ChEMBL | Inhibition of HDAC3 | B | 5.78 | pIC50 | 1660 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 644-649 [PMID:19114304] |
| ChEMBL | Inhibition of HDAC3 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition by fluorescence assay | B | 5.93 | pIC50 | 1165 | nM | IC50 | Medchemcomm (2015) 6: 1816-1825 |
| ChEMBL | Inhibition of HDAC3 | B | 6.21 | pIC50 | 620 | nM | IC50 | J Med Chem (2008) 51: 1505-1529 [PMID:18247554] |
| ChEMBL | Inhibition of HDAC3 in HEK293 cells | B | 6.21 | pIC50 | 610 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 1814-1819 [PMID:18308563] |
| ChEMBL | Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate after 3 hrs by fluorescence assay | B | 6.44 | pIC50 | 360 | nM | IC50 | Eur J Med Chem (2015) 95: 127-135 [PMID:25805446] |
| histone deacetylase 3/Histone deacetylase 3/NCoR1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3038484] [GtoPdb: 2617] [UniProtKB: O15379, O75376] | ||||||||
| GtoPdb | - | - | 6.58 | pKi | 265 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of recombinant HDAC3-NCoR1 (unknown origin) using MAL as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins by fluorescence plate reader analysis | B | 7.66 | pIC50 | 22 | nM | IC50 | J Med Chem (2013) 56: 6156-6174 [PMID:23829483] |
| histone deacetylase 3/Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2111363] [GtoPdb: 2617] [UniProtKB: O15379, Q9Y618] | ||||||||
| GtoPdb | - | - | 6.58 | pKi | 265 | nM | Ki | Nat Chem Biol (2010) 6: 238-243 [PMID:20139990] |
| ChEMBL | Inhibition of recombinant HDAC3/NCOR2 (unknown origin) pre-incubated for 3 hrs before substrate addition by homogeneous fluorogenic HDAC assay | B | 7.35 | pIC50 | 45 | nM | IC50 | J Med Chem (2015) 58: 6803-6818 [PMID:26287310] |
| histone deacetylase 4/Histone deacetylase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3524] [GtoPdb: 2659] [UniProtKB: P56524] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC4 homogeneous fluorescence release assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 4072-4075 [PMID:18570366] |
| ChEMBL | Inhibition of human recombinant N-terminal FLAG-tagged HDAC4 (612-1034) expressed in baculovirus after 10 mins by fluorimetric analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 5684-5688 [PMID:19699639] |
| ChEMBL | Inhibition of human NH2-terminal His6-tagged HDAC4 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| histone deacetylase 5/Histone deacetylase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2563] [GtoPdb: 2660] [UniProtKB: Q9UQL6] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC5 homogeneous fluorescence release assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 4072-4075 [PMID:18570366] |
| ChEMBL | Inhibition of HDAC5 | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 644-649 [PMID:19114304] |
| ChEMBL | Inhibition of human recombinant N-terminal FLAG-tagged HDAC5 (620-1122) expressed in baculovirus after 10 mins by fluorimetric analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 5684-5688 [PMID:19699639] |
| ChEMBL | Inhibition of human NH2-terminal His6-tagged HDAC5 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Inhibition of HDAC6 | B | 4.52 | pIC50 | >30000 | nM | IC50 | J Med Chem (2008) 51: 1505-1529 [PMID:18247554] |
| ChEMBL | Inhibition of recombinant His-tagged HDAC6 (unknown origin) using Fluor-de-Lys SIRT1 as substrate incubated for 3 hrs prior to substrate addition measured after 60 mins by fluorescence plate reader analysis | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2013) 56: 6156-6174 [PMID:23829483] |
| ChEMBL | Inhibition of HDAC6 | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 644-649 [PMID:19114304] |
| ChEMBL | Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2012) 55: 9891-9899 [PMID:23009203] |
| ChEMBL | Inhibition of human recombinant HDAC6 homogeneous fluorescence release assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 4072-4075 [PMID:18570366] |
| ChEMBL | Inhibition of HDAC6 (unknown origin) using Boc-Lys(acetyl)-AMC as substrate preincubated for 5 mins followed by substrate addition by fluorescence assay | B | 5 | pIC50 | >10000 | nM | IC50 | Medchemcomm (2015) 6: 1816-1825 |
| ChEMBL | Inhibition of human NH2-terminal His-tagged HDAC6 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| ChEMBL | Inhibition of HDAC6 (unknown origin) assessed as release of 7-amino-4-methylcoumarin incubated in room temperature for 15 min measured by Spectra max microtitre plate reader | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2021) 64: 16573-16597 [PMID:34783558] |
| histone deacetylase 7/Histone deacetylase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2716] [GtoPdb: 2661] [UniProtKB: Q8WUI4] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC7 homogeneous fluorescence release assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 4072-4075 [PMID:18570366] |
| ChEMBL | Inhibition of HDAC7 | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 644-649 [PMID:19114304] |
| ChEMBL | Inhibition of human recombinant N-terminal FLAG-tagged HDAC7 (438-915) expressed in baculovirus after 10 mins by fluorimetric analysis | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 5684-5688 [PMID:19699639] |
| ChEMBL | Inhibition of human NH2-terminal His6-tagged HDAC7 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| histone deacetylase 8/Histone deacetylase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41] | ||||||||
| ChEMBL | Inhibition of recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 using MAL as substrate incubated for 15 mins prior to substrate addition measured after 60 mins by fluorescence plate reader analysis | B | 4.46 | pIC50 | 35000 | nM | IC50 | J Med Chem (2013) 56: 6156-6174 [PMID:23829483] |
| ChEMBL | Inhibition of His-flagged recombinant HDAC8 (unknown origin) expressed in Escherichia coli BL21 pre-incubated for 15 mins before substrate addition by homogeneous fluorogenic HDAC assay | B | 4.46 | pIC50 | 35000 | nM | IC50 | J Med Chem (2015) 58: 6803-6818 [PMID:26287310] |
| ChEMBL | Inhibition of HDAC8 | B | 4.6 | pIC50 | >25000 | nM | IC50 | J Med Chem (2008) 51: 1505-1529 [PMID:18247554] |
| ChEMBL | Inhibition of human recombinant HDAC8 homogeneous fluorescence release assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 4072-4075 [PMID:18570366] |
| ChEMBL | Inhibition of HDAC8 | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 644-649 [PMID:19114304] |
| ChEMBL | Inhibition of human NH2-terminal His-tagged HDAC8 expressed in sf9 cells using Boc-Lys(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorometry | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2020) 63: 12460-12484 [PMID:32608981] |
| Leukotriene A4 hydrolase/Leukotriene A4 hydrolase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4618] [GtoPdb: 1395] [UniProtKB: P09960] | ||||||||
| ChEMBL | Inhibition of recombinant human LTA4H Epoxide Hydrolase expressed in Escherichia coli BL21 (DE3) pLysS preincubated for 10 mins followed by addition of LTA4 as substrate measured after 15 mins by reverse-phase HPLC analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2017) 60: 1817-1828 [PMID:28218840] |
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]
