UNC0638 [Ligand Id: 7015] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1231795 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 5-HT2A receptor/5-hydroxytryptamine receptor 2A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | Selectivity interaction (US National Institute of Mental Health's Psychoactive Drug Screen Program Selectivity Panel) EUB0001125a HTR2A | B | 5.92 | pKi | 1200 | nM | Ki | Selectivity Literature for EUbOPEN Chemogenomic Library |
| α1A-adrenoceptor/Alpha-1A adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL229] [GtoPdb: 22] [UniProtKB: P35348] | ||||||||
| ChEMBL | Selectivity interaction (US National Institute of Mental Health's Psychoactive Drug Screen Program Selectivity Panel) EUB0001125a ADRA1A | B | 6.3 | pKi | 500 | nM | Ki | Selectivity Literature for EUbOPEN Chemogenomic Library |
| α2C-adrenoceptor/Alpha-2C adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825] | ||||||||
| ChEMBL | Selectivity interaction (US National Institute of Mental Health's Psychoactive Drug Screen Program Selectivity Panel) EUB0001125a ADRA2C | B | 6.4 | pKi | 400 | nM | Ki | Selectivity Literature for EUbOPEN Chemogenomic Library |
| DNA methyltransferase 1/DNA (cytosine-5)-methyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1993] [GtoPdb: 2605] [UniProtKB: P26358] | ||||||||
| ChEMBL | Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay | B | 5.7 | pIC50 | 2010 | nM | IC50 | J Med Chem (2018) 61: 6518-6545 [PMID:29953809] |
| ChEMBL | Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay | B | 5.7 | pIC50 | 2010 | nM | IC50 | J Med Chem (2018) 61: 6546-6573 [PMID:29890830] |
| ChEMBL | Inhibition of DNMT1 (unknown origin) by radioactive methyl transfer assay | B | 5.89 | pIC50 | 1287 | nM | IC50 | J Med Chem (2018) 61: 6518-6545 [PMID:29953809] |
| ChEMBL | Inhibition of DNMT1 (unknown origin) | B | 5.89 | pIC50 | 1287 | nM | IC50 | J Med Chem (2018) 61: 6546-6573 [PMID:29890830] |
| euchromatic histone lysine methyltransferase 1/Histone-lysine N-methyltransferase EHMT1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6031] [GtoPdb: 2651] [UniProtKB: Q9H9B1] | ||||||||
| GtoPdb | Measuring conversion of cofactor SAM to product SAH (S-adenosyl-l-homocysteine). | - | 7.72 | pIC50 | 19 | nM | IC50 | Nat Chem Biol (2011) 7: 566-74 [PMID:21743462] |
| ChEMBL | Affinity Biochemical interaction: (SPR) EUB0001125a EHMT1 | B | 7.72 | pIC50 | 19 | nM | IC50 | Affinity Biochemical Literature for EUbOPEN Chemogenomic Library |
| ChEMBL | Inhibition of GLP (unknown origin) assessed as conversion of SAM to SAH by SAHH-coupled assay | B | 7.72 | pIC50 | 19 | nM | IC50 | Medchemcomm (2012) 3: 135-161 |
| ChEMBL | Inhibition of EHMT1 (unknown origin) | B | 7.72 | pIC50 | 19 | nM | IC50 | Bioorg Med Chem (2017) 25: 4579-4594 [PMID:28739157] |
| ChEMBL | Inhibition of GLP (unknown origin) using H3(1 to 25) as peptide substrate and SAM as cosubstrate measured after 20 mins by fluorescence based analysis | B | 7.72 | pIC50 | 19 | nM | IC50 | RSC Med Chem (2024) 15: 1424-1451 [PMID:38799223] |
| ChEMBL | Competitive inhibition of GLP by fluorescence polarization assay in presence of fluorescein-labeled H3 peptide | B | 7.72 | pIC50 | 19 | nM | IC50 | Eur J Med Chem (2012) 56: 179-194 [PMID:22975593] |
| ChEMBL | Inhibition of GLP (unknown origin) | B | 7.72 | pIC50 | 19 | nM | IC50 | J Med Chem (2019) 62: 2666-2689 [PMID:30753076] |
| ChEMBL | Inhibition of GLP (unknown origin) | B | 7.72 | pIC50 | 19 | nM | IC50 | J Med Chem (2023) 66: 4059-4085 [PMID:36882960] |
| ChEMBL | Inhibition of GLP (unknown origin) using H3(1-20)-cys as substrate by HPLC analysis | B | 7.72 | pIC50 | 19 | nM | IC50 | Eur J Med Chem (2023) 246: 115028-115028 [PMID:36528996] |
| ChEMBL | Inhibition of GLP (unknown origin) | B | 7.72 | pIC50 | 19 | nM | IC50 | J Med Chem (2023) 66: 8086-8102 [PMID:37268593] |
| ChEMBL | Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as reduction in conversion of SAH to AMP using histone H3 as substrate and SAH as cosubstrate incubated for 30 mins by AMP Glo detection assay | B | 7.89 | pIC50 | 13 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 2516-2524 [PMID:31350126] |
| ChEMBL | Inhibition of GLP (unknown origin) | B | 8.6 | pIC50 | <2.5 | nM | IC50 | J Med Chem (2024) 67: 5837-5853 [PMID:38533580] |
| euchromatic histone lysine methyltransferase 2/Histone-lysine N-methyltransferase EHMT2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6032] [GtoPdb: 2652] [UniProtKB: Q96KQ7] | ||||||||
| ChEMBL | Binding affinity to human His-tagged G9a expressed in Escherichia coli Rosetta (DE3) after 30 mins by MST binding assay | B | 5.85 | pKd | 1420 | nM | Kd | J Med Chem (2019) 62: 2666-2689 [PMID:30753076] |
| ChEMBL | Affinity Biochemical interaction: (SPR) EUB0001125a EHMT2 | B | 7.57 | pKd | 27 | nM | Kd | Affinity Biochemical Literature for EUbOPEN Chemogenomic Library |
| ChEMBL | Inhibition of G9a (unknown origin) assessed as reduction in substrate methylation using histone H3 and SAM as substrate measured after 15 to 60 mins by microfluidic capillary electrophoresis analysis | B | 7.74 | pKi | 18 | nM | Ki | Eur J Med Chem (2022) 237: 114410-114410 [PMID:35525212] |
| ChEMBL | Competitive inhibition of G9a by fluorescence polarization assay in presence of fluorescein-labeled H3 peptide | B | 8.43 | pKi | 3.7 | nM | Ki | Eur J Med Chem (2012) 56: 179-194 [PMID:22975593] |
| ChEMBL | Competitive inhibition of G9a (unknown origin) by Morrison plot analysis in presence of histone H3 (1 to 25 residues) | B | 8.43 | pKi | 3.7 | nM | Ki | Bioorg Med Chem (2016) 24: 6102-6108 [PMID:27720557] |
| GtoPdb | - | - | 8.52 | pKi | 3 | nM | Ki | Nat Chem Biol (2011) 7: 566-74 [PMID:21743462] |
| ChEMBL | Binding affinity to G9a (unknown origin) assessed as inhibition constant measured after 20 mins by fluorescence based analysis | B | 8.52 | pKi | 3 | nM | Ki | RSC Med Chem (2024) 15: 1424-1451 [PMID:38799223] |
| ChEMBL | Inhibition of G9a (unknown origin) using biotinylated-histone H3 (1 to 21 residues)/S-adenosyl-methionine as substrate/methyl donor after 3 hrs by AlphaScreen assay | B | 6.21 | pIC50 | 610 | nM | IC50 | Bioorg Med Chem (2016) 24: 6102-6108 [PMID:27720557] |
| ChEMBL | Inhibition of G9a in p53-deficient human HCT116 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay | B | 6.62 | pIC50 | 240 | nM | IC50 | J Med Chem (2011) 54: 6139-6150 [PMID:21780790] |
| ChEMBL | Inhibition of G9a in human HCT116 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay | B | 6.68 | pIC50 | 210 | nM | IC50 | J Med Chem (2011) 54: 6139-6150 [PMID:21780790] |
| ChEMBL | Inhibition of G9a in human IMR90 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay | B | 6.92 | pIC50 | 120 | nM | IC50 | J Med Chem (2011) 54: 6139-6150 [PMID:21780790] |
| ChEMBL | Affinity On-target Cellular interaction: (In-cell western of protein substrate methylation assay, MDA-MB-231 cells) EUB0001125a EHMT2 | F | 7.09 | pIC50 | 81 | nM | IC50 | Affinity On-target Cellular Literature for EUbOPEN Chemogenomic Library |
| ChEMBL | Inhibition of lysine methyltransferase G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 cellular level by immunofluorescence in-cell Western assay | B | 7.09 | pIC50 | 81 | nM | IC50 | J Med Chem (2013) 56: 8931-8942 [PMID:24102134] |
| ChEMBL | Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay | B | 7.09 | pIC50 | 81 | nM | IC50 | J Med Chem (2011) 54: 6139-6150 [PMID:21780790] |
| ChEMBL | Inhibition of G9a in human MDA-MB-231 cells after 48 hrs by clonogenic assay | B | 7.09 | pIC50 | 81 | nM | IC50 | Eur J Med Chem (2012) 56: 179-194 [PMID:22975593] |
| ChEMBL | Inhibition of G9a in human MCF7 cells after 48 hrs by clonogenic assay | B | 7.09 | pIC50 | 81 | nM | IC50 | Eur J Med Chem (2012) 56: 179-194 [PMID:22975593] |
| ChEMBL | Inhibition of G9a in human MCF7 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay | B | 7.15 | pIC50 | 70 | nM | IC50 | J Med Chem (2011) 54: 6139-6150 [PMID:21780790] |
| ChEMBL | Inhibition of G9a in human PC3 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay | B | 7.23 | pIC50 | 59 | nM | IC50 | J Med Chem (2011) 54: 6139-6150 [PMID:21780790] |
| ChEMBL | Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay | B | 7.26 | pIC50 | 55 | nM | IC50 | J Med Chem (2018) 61: 6518-6545 [PMID:29953809] |
| ChEMBL | Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay | B | 7.26 | pIC50 | 55 | nM | IC50 | J Med Chem (2018) 61: 6546-6573 [PMID:29890830] |
| ChEMBL | Inhibition of G9a in human 22Rv1 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay | B | 7.32 | pIC50 | 48 | nM | IC50 | J Med Chem (2011) 54: 6139-6150 [PMID:21780790] |
| ChEMBL | Inhibition of N-terminal GST-tagged human recombinant G9a (785 to 1210 residues) expressed in baculovirus infected Sf9 cells incubated for 1 hr by AlphaLISA analysis | B | 7.45 | pIC50 | 35.3 | nM | IC50 | J Med Chem (2023) 66: 4059-4085 [PMID:36882960] |
| ChEMBL | Inhibition of human G9a using core histone H3 as substrate incubated for 1 hr in presence of [3H]-SAM by filter binding method | B | 7.52 | pIC50 | 30 | nM | IC50 | Eur J Med Chem (2019) 184: 111755-111755 [PMID:31627059] |
| ChEMBL | Inhibition of N-terminal GST tagged human recombinant EHMT2 (785 to 1210 residues) expressed in baculovirus infected Sf9 insect cells assessed as reduction in conversion of SAH to AMP using histone H3 as substrate and SAH as cosubstrate incubated for 30 mins by AMP Glo detection assay | B | 7.59 | pIC50 | 26 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 2516-2524 [PMID:31350126] |
| ChEMBL | Inhibition of recombinant human G9a using biotinylated-Histone H3 peptide (1 to 21 residues) after 30 mins in presence of SAM by AlphaLISA assay | B | 7.6 | pIC50 | 25 | nM | IC50 | J Med Chem (2019) 62: 2666-2689 [PMID:30753076] |
| GtoPdb | Measuring conversion of the cofactor SAM to product SAH (S-adenosyl-l-homocysteine). | - | 7.82 | pIC50 | <15 | nM | IC50 | Nat Chem Biol (2011) 7: 566-74 [PMID:21743462] |
| ChEMBL | Inhibition of G9a (unknown origin) | B | 7.82 | pIC50 | <15 | nM | IC50 | Eur J Med Chem (2019) 184: 111755-111755 [PMID:31627059] |
| ChEMBL | Inhibition G9a (unknown origin) | B | 7.82 | pIC50 | 15 | nM | IC50 | Eur J Med Chem (2019) 179: 537-546 [PMID:31276898] |
| ChEMBL | Inhibition of G9a (unknown origin) using H3(1 to 25) as substrate assessed as conversion of SAM to SAH preincubated for 2 mins followed by substrate addition measured for 20 mins by SAHH-coupled assay | B | 7.82 | pIC50 | <15 | nM | IC50 | Medchemcomm (2012) 3: 135-161 |
| ChEMBL | Competitive inhibition of G9a by fluorescence polarization assay in presence of fluorescein-labeled H3 peptide | B | 7.82 | pIC50 | <15 | nM | IC50 | Eur J Med Chem (2012) 56: 179-194 [PMID:22975593] |
| ChEMBL | Inhibition of G9a (unknown origin) using histone H3 (1 to 25 residues) as substrate preincubated for 2 mins followed by substrate addition measured for 20 mins by SAHH-coupled assay | B | 7.82 | pIC50 | <15 | nM | IC50 | Bioorg Med Chem (2016) 24: 6102-6108 [PMID:27720557] |
| ChEMBL | Inhibition of EHMT2 (unknown origin) | B | 7.82 | pIC50 | <15 | nM | IC50 | Bioorg Med Chem (2017) 25: 4579-4594 [PMID:28739157] |
| ChEMBL | Inhibition of G9a (unknown origin) | B | 7.82 | pIC50 | <15 | nM | IC50 | J Med Chem (2018) 61: 6546-6573 [PMID:29890830] |
| ChEMBL | Inhibition G9a (unknown origin) | B | 7.82 | pIC50 | 15 | nM | IC50 | J Med Chem (2019) 62: 2666-2689 [PMID:30753076] |
| ChEMBL | Inhibition of G9a (unknown origin) using H3(1-20)-cys as substrate by HPLC analysis | B | 7.82 | pIC50 | 15 | nM | IC50 | Eur J Med Chem (2023) 246: 115028-115028 [PMID:36528996] |
| ChEMBL | Inhibition of G9a (unknown origin) using H3(1 to 25) as peptide substrate measured after 20 mins by fluorescence based analysis | B | 7.82 | pIC50 | <15 | nM | IC50 | RSC Med Chem (2024) 15: 1424-1451 [PMID:38799223] |
| ChEMBL | Inhibition of G9a (unknown origin) using H3(1 to 25) as peptide substrate and SAM as cosubstrate measured after 20 mins by fluorescence based analysis | B | 7.82 | pIC50 | <15 | nM | IC50 | RSC Med Chem (2024) 15: 1424-1451 [PMID:38799223] |
| ChEMBL | Affinity Biochemical interaction: (Fluorescence-based SAHH coupled assay) EUB0001125a EHMT2 | F | 7.82 | pIC50 | <15 | nM | IC50 | Affinity Biochemical Literature for EUbOPEN Chemogenomic Library |
| ChEMBL | Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay | B | 7.92 | pIC50 | 12 | nM | IC50 | J Med Chem (2011) 54: 6139-6150 [PMID:21780790] |
| ChEMBL | Inhibition of G9a (unknown origin) | B | 7.92 | pIC50 | 12 | nM | IC50 | J Med Chem (2023) 66: 8086-8102 [PMID:37268593] |
| ChEMBL | Inhibition of G9a (unknown origin) | B | 8.03 | pIC50 | 9.4 | nM | IC50 | ACS Med Chem Lett (2023) 14: 1531-1536 [PMID:37974951] |
| ChEMBL | Inhibition of human recombinant EHMT2 G9a using SAM as substrate incubated for 1 hr by microplate luminescence based HMT assay | B | 8.43 | pIC50 | 3.75 | nM | IC50 | J Med Chem (2023) 66: 5685-5702 [PMID:37021456] |
| ChEMBL | Inhibition of G9a (unknown origin) | B | 8.6 | pIC50 | <2.5 | nM | IC50 | J Med Chem (2024) 67: 5837-5853 [PMID:38533580] |
| ChEMBL | Inhibition of G9a (unknown origin) using [histone H3 1 to 25 residues] and SAM substrate by scintillation proximity assay | B | 8.6 | pIC50 | 2.5 | nM | IC50 | Medchemcomm (2014) 5: 1821-1828 [PMID:25750706] |
| ChEMBL | Inhibition of lysine methyltransferase G9a (unknown origin) using [3H]-SAM as substrate after 0.25 hrs by scintillation proximity assay | B | 8.6 | pIC50 | <2.5 | nM | IC50 | J Med Chem (2013) 56: 8931-8942 [PMID:24102134] |
| lysine demethylase 1A/Lysine-specific histone demethylase 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341] | ||||||||
| ChEMBL | Inhibition of human LSD1 (unknown orgin) | B | 6.74 | pIC50 | 180 | nM | IC50 | Eur J Med Chem (2021) 222: 113588-113588 [PMID:34107385] |
| M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229] | ||||||||
| ChEMBL | Selectivity interaction (US National Institute of Mental Health's Psychoactive Drug Screen Program Selectivity Panel) EUB0001125a CHRM1 | B | 6.43 | pKi | 370 | nM | Ki | Selectivity Literature for EUbOPEN Chemogenomic Library |
| M2 receptor/Muscarinic acetylcholine receptor M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL211] [GtoPdb: 14] [UniProtKB: P08172] | ||||||||
| ChEMBL | Selectivity interaction (US National Institute of Mental Health's Psychoactive Drug Screen Program Selectivity Panel) EUB0001125a CHRM2 | B | 6.29 | pKi | 510 | nM | Ki | Selectivity Literature for EUbOPEN Chemogenomic Library |
| M4 receptor/Muscarinic acetylcholine receptor M4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1821] [GtoPdb: 16] [UniProtKB: P08173] | ||||||||
| ChEMBL | Selectivity interaction (US National Institute of Mental Health's Psychoactive Drug Screen Program Selectivity Panel) EUB0001125a CHRM4 | B | 6.29 | pKi | 510 | nM | Ki | Selectivity Literature for EUbOPEN Chemogenomic Library |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antiplasmodial activity against asynchronous form of Plasmodium falciparum 3D7 infected in human erythrocytes assessed as parasite growth inhibition after 48 hrs by SYBR green1 staining based flow cytometry | F | 7.17 | pIC50 | 67.9 | nM | IC50 | Eur J Med Chem (2019) 161: 277-291 [PMID:30366254] |
| ChEMBL | Antiplasmodial activity against asynchronous form of Plasmodium falciparum W2 infected in human erythrocytes assessed as parasite growth inhibition after 48 hrs by SYBR green1 staining based flow cytometry | F | 7.41 | pIC50 | 38.5 | nM | IC50 | Eur J Med Chem (2019) 161: 277-291 [PMID:30366254] |
| ChEMBL | Antiplasmodial activity against Plasmodium falciparum Dd2 infected in human erythrocytes assessed as reduction in [3H]-hypoxanthine incorporation measured after 48 hrs by microbeta liquid scintillation counting method | F | 7.77 | pIC50 | 16.8 | nM | IC50 | Eur J Med Chem (2019) 161: 277-291 [PMID:30366254] |
| spindlin 1/Spindlin-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523509] [GtoPdb: 3274] [UniProtKB: Q9Y657] | ||||||||
| ChEMBL | Inhibition of FL-H3K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 30 mins by fluorescence polarization displacement assay | B | 5.13 | pIC50 | 7400 | nM | IC50 | J Med Chem (2019) 62: 8996-9007 [PMID:31260300] |
| ChEMBL | Displacement of FL-H3K4me3 peptide from human N-terminal His10 tagged SPIN1 (G21 to S262 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by fluorescence polarization assay | B | 5.13 | pIC50 | 7360 | nM | IC50 | J Med Chem (2024) 67: 5837-5853 [PMID:38533580] |
| ChEMBL | Inhibition of biotin-H3(1-23)K4me3 binding to recombinant human C-terminal His6-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) cells incubated for 90 mins by AlphaLISA assay | B | 5.49 | pIC50 | 3200 | nM | IC50 | J Med Chem (2019) 62: 8996-9007 [PMID:31260300] |
ChEMBL data shown on this page come from version 36:
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]
