nexturastat A [Ligand Id: 7504] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL2179618 (Nexturastat A) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547] | ||||||||
| ChEMBL | Inhibition of human recombinant HDAC1 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate | B | 5.52 | pIC50 | 3020 | 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 | 5.52 | pIC50 | 3020 | nM | IC50 | US-9409858-B2. Selective histone deactylase 6 inhibitors (2016) |
| ChEMBL | Inhibition of HDAC1 (unknown origin) | B | 5.52 | pIC50 | 3020 | nM | IC50 | Bioorg Med Chem Lett (2021) 47: 128207-128207 [PMID:34146703] |
| ChEMBL | Inhibition of HDAC1 (unknown origin) | B | 5.52 | pIC50 | 3020 | nM | IC50 | Eur J Med Chem (2021) 221: 113526-113526 [PMID:33992929] |
| GtoPdb | - | - | 5.52 | pIC50 | 3002 | nM | IC50 | J Med Chem (2012) 55: 9891-9 [PMID:23009203] |
| ChEMBL | Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and further incubated for 2 hrs by fluorescence assay | B | 5.54 | pIC50 | 2860 | nM | IC50 | J Med Chem (2019) 62: 8557-8577 [PMID:31414801] |
| ChEMBL | Inhibition of human recombinant HDAC1 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay | B | 6.3 | pIC50 | 500 | nM | IC50 | J Med Chem (2020) 63: 10339-10351 [PMID:32803970] |
| ChEMBL | Inhibition of recombinant human HDAC1 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay | B | 6.44 | pIC50 | 360 | nM | IC50 | J Med Chem (2019) 62: 8557-8577 [PMID:31414801] |
| ChEMBL | Inhibition of human HDAC1 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins by fluorescence-based assay | B | 6.82 | pIC50 | 151 | nM | IC50 | J Med Chem (2020) 63: 10246-10262 [PMID:32815366] |
| ChEMBL | Inhibition of recombinant human HDAC1 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay | B | 6.82 | pIC50 | 151 | nM | IC50 | J Med Chem (2021) 64: 4810-4840 [PMID:33830764] |
| ChEMBL | Inhibition of full length recombinant human HDAC1 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence assay | B | 8.29 | pIC50 | 5.1 | nM | IC50 | J Med Chem (2021) 64: 4810-4840 [PMID:33830764] |
| histone deacetylase 10/Histone deacetylase 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5103] [GtoPdb: 2614] [UniProtKB: Q969S8] | ||||||||
| ChEMBL | Inhibition of HDAC10 | B | 5.12 | pIC50 | 7570 | nM | IC50 | J Med Chem (2012) 55: 9891-9899 [PMID:23009203] |
| ChEMBL | Inhibition of HDAC10 (unknown origin) | B | 5.12 | pIC50 | 7570 | nM | IC50 | Eur J Med Chem (2021) 221: 113526-113526 [PMID:33992929] |
| ChEMBL | Inhibition of dye-labeled tracer binding to HDAC10 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter gene-based BRET assay | B | 6.3 | pIC50 | 501.19 | nM | IC50 | J Med Chem (2019) 62: 4426-4443 [PMID:30964290] |
| ChEMBL | Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC10 (unknown origin) measured after 1 hr by TR-FRET assay | B | 7 | pIC50 | 100 | nM | IC50 | J Med Chem (2019) 62: 4426-4443 [PMID:30964290] |
| histone deacetylase 11/Histone deacetylase 11 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3310] [GtoPdb: 2615] [UniProtKB: Q96DB2] | ||||||||
| ChEMBL | Inhibition of recombinant human HDAC11 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay | B | 4.97 | pIC50 | 10600 | nM | IC50 | J Med Chem (2019) 62: 8557-8577 [PMID:31414801] |
| ChEMBL | Inhibition of human HDAC11 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay | B | 4.97 | pIC50 | 10600 | nM | IC50 | J Med Chem (2020) 63: 10246-10262 [PMID:32815366] |
| ChEMBL | Inhibition of HDAC11 | B | 5.29 | pIC50 | 5140 | nM | IC50 | J Med Chem (2012) 55: 9891-9899 [PMID:23009203] |
| ChEMBL | Inhibition of HDAC11 (unknown origin) | B | 5.29 | pIC50 | 5140 | nM | IC50 | Eur J Med Chem (2021) 221: 113526-113526 [PMID:33992929] |
| histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769] | ||||||||
| ChEMBL | Inhibition of C-terminal GST-tagged recombinant human HDAC2 (1 to 488 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubation for 90 mins measured after 15 mins by microplate reader based fluorescence assay | B | 5.9 | pKi | 1250 | nM | Ki | Bioorg Med Chem (2019) 27: 115036-115036 [PMID:31431326] |
| ChEMBL | Inhibition of HDAC2 | B | 5.16 | pIC50 | 6920 | nM | IC50 | J Med Chem (2012) 55: 9891-9899 [PMID:23009203] |
| ChEMBL | Inhibition of HDAC2 (unknown origin) | B | 5.16 | pIC50 | 6920 | nM | IC50 | Eur J Med Chem (2021) 221: 113526-113526 [PMID:33992929] |
| ChEMBL | Inhibition of human HDAC2 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins by fluorescence-based assay | B | 6.56 | pIC50 | 276 | nM | IC50 | J Med Chem (2020) 63: 10246-10262 [PMID:32815366] |
| histone deacetylase 3/Histone deacetylase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379] | ||||||||
| ChEMBL | Inhibition of HDAC3 | B | 5.18 | pIC50 | 6680 | nM | IC50 | J Med Chem (2012) 55: 9891-9899 [PMID:23009203] |
| ChEMBL | Inhibition of HDAC3 (unknown origin) | B | 5.18 | pIC50 | 6680 | nM | IC50 | Eur J Med Chem (2021) 221: 113526-113526 [PMID:33992929] |
| ChEMBL | Inhibition of human HDAC3 expressed in HEK293/T17 cells pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins by fluorescence-based assay | B | 5.85 | pIC50 | 1420 | nM | IC50 | J Med Chem (2020) 63: 10246-10262 [PMID:32815366] |
| histone deacetylase 4/Histone deacetylase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3524] [GtoPdb: 2659] [UniProtKB: P56524] | ||||||||
| ChEMBL | Inhibition of C-terminal His-tagged/N-terminal GST-tagged recombinant human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect cells using Boc-Lys(TFa)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubation for 90 mins measured after 15 mins by microplate reader based fluorescence assay | B | 5.12 | pKi | 7570 | nM | Ki | Bioorg Med Chem (2019) 27: 115036-115036 [PMID:31431326] |
| ChEMBL | Inhibition of recombinant human HDAC4 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay | B | 4.83 | pIC50 | 14800 | nM | IC50 | J Med Chem (2019) 62: 8557-8577 [PMID:31414801] |
| ChEMBL | Inhibition of human HDAC4 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay | B | 4.83 | pIC50 | 14800 | nM | IC50 | J Med Chem (2020) 63: 10246-10262 [PMID:32815366] |
| ChEMBL | Inhibition of HDAC4 | B | 5.03 | pIC50 | 9390 | nM | IC50 | J Med Chem (2012) 55: 9891-9899 [PMID:23009203] |
| ChEMBL | Inhibition of HDAC4 (unknown origin) | B | 5.03 | pIC50 | 9390 | nM | IC50 | Eur J Med Chem (2021) 221: 113526-113526 [PMID:33992929] |
| histone deacetylase 5/Histone deacetylase 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2563] [GtoPdb: 2660] [UniProtKB: Q9UQL6] | ||||||||
| ChEMBL | Inhibition of HDAC5 | B | 4.93 | pIC50 | 11700 | nM | IC50 | J Med Chem (2012) 55: 9891-9899 [PMID:23009203] |
| ChEMBL | Inhibition of HDAC5 (unknown origin) | B | 4.93 | pIC50 | 11700 | nM | IC50 | Eur J Med Chem (2021) 221: 113526-113526 [PMID:33992929] |
| ChEMBL | Inhibition of recombinant human HDAC5 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay | B | 5.18 | pIC50 | 6620 | nM | IC50 | J Med Chem (2019) 62: 8557-8577 [PMID:31414801] |
| ChEMBL | Inhibition of human HDAC5 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay | B | 5.18 | pIC50 | 6620 | nM | IC50 | J Med Chem (2020) 63: 10246-10262 [PMID:32815366] |
| histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
| ChEMBL | Inhibition of N-terminal GST-tagged recombinant human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubation for 90 mins measured after 15 mins by microplate reader based fluorescence assay | B | 7.52 | pKi | 30 | nM | Ki | Bioorg Med Chem (2019) 27: 115036-115036 [PMID:31431326] |
| ChEMBL | Inhibition of full length recombinant human HDAC6 expressed in baculovirus infected Sf9 insect cells using RHKKAc fluorogenic peptide as substrate preincubated for 5 to 10 mins followed by substrate addition and measured after 2 hrs by fluorescence assay | B | 5.66 | pIC50 | 2186 | nM | IC50 | J Med Chem (2021) 64: 4810-4840 [PMID:33830764] |
| ChEMBL | Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 insect cells pretreated with compound followed by Fluor de Lys deacetylase substrate addition by fluorescence method | B | 7.6 | pIC50 | 25 | nM | IC50 | J Med Chem (2019) 62: 10711-10739 [PMID:31710483] |
| ChEMBL | Inhibition of human recombinant HDAC6 using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay | B | 7.7 | pIC50 | 20 | nM | IC50 | J Med Chem (2020) 63: 10339-10351 [PMID:32803970] |
| ChEMBL | Inhibition of N-terminal GST-tagged full length human recombinant HDAC6 expressed in baculovirus infected Sf9 cells using ZMAL (Z-Lys(Ac)-AMC) fluorogenic substrate incubated for 90 mins by fluorescence based assay | B | 7.7 | pIC50 | 20 | nM | IC50 | Eur J Med Chem (2021) 211: 113065-113065 [PMID:33360801] |
| ChEMBL | Inhibition of HDAC6 (unknown origin) preincubated for 10 mins followed by Ac-Leu-GlyLys(Ac)-AMC substrate addition measured after 30 mins by fluorescence based assay | B | 8.28 | pIC50 | 5.2 | nM | IC50 | Bioorg Med Chem (2018) 26: 747-757 [PMID:29317150] |
| ChEMBL | Inhibition of human recombinant HDAC6 expressed in Sf9 cells incubated for 2 hrs using RHKK-Ac fluorogenic substrate | B | 8.3 | pIC50 | 5.02 | 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 | 8.3 | pIC50 | 5.02 | nM | IC50 | US-9409858-B2. Selective histone deactylase 6 inhibitors (2016) |
| GtoPdb | - | - | 8.3 | pIC50 | 5.02 | nM | IC50 | J Med Chem (2012) 55: 9891-9 [PMID:23009203] |
| ChEMBL | Inhibition of HDAC6 (unknown origin) | B | 8.3 | pIC50 | 5 | nM | IC50 | Bioorg Med Chem Lett (2021) 47: 128207-128207 [PMID:34146703] |
| ChEMBL | Inhibition of HDAC6 (unknown origin) | B | 8.3 | pIC50 | 5 | nM | IC50 | Eur J Med Chem (2021) 221: 113526-113526 [PMID:33992929] |
| ChEMBL | Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and further incubated for 2 hrs by fluorescence assay | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2019) 62: 8557-8577 [PMID:31414801] |
| ChEMBL | Inhibition of recombinant human HDAC6 expressed in HEK293T/17 cells using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay | B | 8.4 | pIC50 | 4 | nM | IC50 | J Med Chem (2019) 62: 8557-8577 [PMID:31414801] |
| ChEMBL | Inhibition of human N-terminal tagged human HDAC6 expressed in HEK293T/17 using Ac-Gly-Ala-[Ac-Lys]-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 15 mins by fluorescence assay | B | 8.42 | pIC50 | 3.8 | nM | IC50 | J Med Chem (2019) 62: 7042-7057 [PMID:31271281] |
| ChEMBL | Inhibition of recombinant human HDAC6 using Ac-GAK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay | B | 8.8 | pIC50 | 1.6 | nM | IC50 | J Med Chem (2021) 64: 4810-4840 [PMID:33830764] |
| ChEMBL | Inhibition of human HDAC6 expressed in HEK293/T17 cells using pre-incubated for 10 mins before Ac-GAK(Ac)-AM substrate addition and measured after 30 mins by fluorescence-based assay | B | 8.8 | pIC50 | 1.6 | nM | IC50 | J Med Chem (2020) 63: 10246-10262 [PMID:32815366] |
| GtoPdb | - | - | 9.3 | pIC50 | 0.5 | nM | IC50 | J Med Chem (2020) 63: 10246-10262 [PMID:32815366] |
| histone deacetylase 7/Histone deacetylase 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2716] [GtoPdb: 2661] [UniProtKB: Q8WUI4] | ||||||||
| ChEMBL | Inhibition of HDAC7 | B | 5.35 | pIC50 | 4460 | nM | IC50 | J Med Chem (2012) 55: 9891-9899 [PMID:23009203] |
| ChEMBL | Inhibition of HDAC7 (unknown origin) | B | 5.35 | pIC50 | 4460 | nM | IC50 | Eur J Med Chem (2021) 221: 113526-113526 [PMID:33992929] |
| ChEMBL | Inhibition of recombinant human HDAC7 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay | B | 5.61 | pIC50 | 2430 | nM | IC50 | J Med Chem (2019) 62: 8557-8577 [PMID:31414801] |
| ChEMBL | Inhibition of human HDAC7 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay | B | 5.61 | pIC50 | 2430 | nM | IC50 | J Med Chem (2020) 63: 10246-10262 [PMID:32815366] |
| histone deacetylase 8/Histone deacetylase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41] | ||||||||
| ChEMBL | Inhibition of C-terminal His-fusion tagged/N-terminal Strep-2 tagged recombinant human HDAC8 (1 to 377 residues) expressed in insect cells using Boc-Lys(TFa)-AMC as substrate preincubated for 5 mins followed by substrate addition and further incubation for 90 mins measured after 15 mins by microplate reader based fluorescence assay | B | 4.89 | pKi | 12800 | nM | Ki | Bioorg Med Chem (2019) 27: 115036-115036 [PMID:31431326] |
| ChEMBL | Inhibition of recombinant human HDAC8 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay | B | 5.81 | pIC50 | 1540 | nM | IC50 | J Med Chem (2019) 62: 8557-8577 [PMID:31414801] |
| ChEMBL | Inhibition of human HDAC8 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay | B | 6.01 | pIC50 | 988 | nM | IC50 | J Med Chem (2020) 63: 10246-10262 [PMID:32815366] |
| ChEMBL | Inhibition of recombinant human HDAC8 using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay | B | 6.01 | pIC50 | 988 | nM | IC50 | J Med Chem (2021) 64: 4810-4840 [PMID:33830764] |
| ChEMBL | Inhibition of HDAC8 | B | 6.02 | pIC50 | 954 | nM | IC50 | J Med Chem (2012) 55: 9891-9899 [PMID:23009203] |
| ChEMBL | Inhibition of HDAC8 (unknown origin) | B | 6.02 | pIC50 | 954 | nM | IC50 | Eur J Med Chem (2021) 221: 113526-113526 [PMID:33992929] |
| histone deacetylase 9/Histone deacetylase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4145] [GtoPdb: 2620] [UniProtKB: Q9UKV0] | ||||||||
| ChEMBL | Inhibition of HDAC9 | B | 5.17 | pIC50 | 6720 | nM | IC50 | J Med Chem (2012) 55: 9891-9899 [PMID:23009203] |
| ChEMBL | Inhibition of HDAC9 (unknown origin) | B | 5.17 | pIC50 | 6720 | nM | IC50 | Eur J Med Chem (2021) 221: 113526-113526 [PMID:33992929] |
| ChEMBL | Inhibition of recombinant human HDAC9 expressed in HEK293T/17 cells using Boc-Lys(TFA)-AMC as substrate preincubated for 10 mins followed by substrate addition and measured after 30 mins by fluorescence-based assay | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2019) 62: 8557-8577 [PMID:31414801] |
| ChEMBL | Inhibition of human HDAC9 expressed in HEK293/T17 cells pre-incubated for 10 mins before Boc-Lys(TFA)-AM substrate addition and measured after 30 mins by fluorescence-based assay | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2020) 63: 10246-10262 [PMID:32815366] |
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]
