clobenpropit [Ligand Id: 1223] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL14690 (Clobenpropit) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| H3 receptor/Histamine H3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1] | ||||||||
| ChEMBL | Binding affinity to NLuc-tagged human H3R expressed in HEK293T cell homogenates using NanoGlo as substrate preincubated for 2 hrs followed by substrate addition measured after 5 min by NanoBRET saturation binding assay | B | 7.36 | pKd | 44 | nM | Kd | J Med Chem (2022) 65: 8258-8288 [PMID:35734860] |
| ChEMBL | Binding affinity to NLuc-tagged human H3R expressed in HEK293T cell homogenates using NanoGlo as substrate preincubated for 2 hrs followed by substrate addition measured after 5 min by NanoBRET saturation binding assay | B | 7.36 | pKd | 43.65 | nM | Kd | J Med Chem (2022) 65: 8258-8288 [PMID:35734860] |
| ChEMBL | Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP accumulation after 1.5 hrs by TR-FRET immunoassay | F | 10 | pKd | 0.1 | nM | Kd | Bioorg Med Chem Lett (2013) 23: 6415-6420 [PMID:24140447] |
| ChEMBL | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting | B | 8.5 | pKi | 3.16 | nM | Ki | Bioorg Med Chem (2009) 17: 3987-3994 [PMID:19414267] |
| ChEMBL | Displacement of [3H]histamine from human H3 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting | B | 8.55 | pKi | 2.82 | nM | Ki | J Med Chem (2011) 54: 8136-8147 [PMID:22003888] |
| ChEMBL | Displacement of [3H]N-methylhistamine from SP-FLAG tagged human histamine H3 receptor expressed in SK-N-MC cells incubated for 40 mins | B | 8.6 | pKi | 2.51 | nM | Ki | ACS Med Chem Lett (2023) 14: 1589-1595 [PMID:37974943] |
| ChEMBL | Binding affinity in Nluc-hH3R assessed in HEK293T cells by NanoBRET binding assay | B | 8.6 | pKi | 2.51 | nM | Ki | J Med Chem (2021) 64: 11695-11708 [PMID:34309390] |
| ChEMBL | Displacement of [3H]-N-alpha-methylhistamine from human recombinant H3R expressed in human SK-N-MC cell membranes | B | 8.6 | pKi | 2.51 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Displacement of [125I]iodoproxyfan from human full-length histamine H3 receptor expressed in HEK293 cells after 60 mins | B | 8.62 | pKi | 2.4 | nM | Ki | Bioorg Med Chem (2011) 19: 2850-2858 [PMID:21498080] |
| ChEMBL | Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells | B | 8.62 | pKi | 2.4 | nM | Ki | J Med Chem (2003) 46: 1523-1530 [PMID:12672253] |
| ChEMBL | Inhibition of [125I]iodoproxyfan binding to human histamine H3 receptor of CHO-K1 cells | B | 8.62 | pKi | 2.4 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 951-954 [PMID:11294398] |
| ChEMBL | Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells | B | 8.62 | pKi | 2.4 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 6682-6685 [PMID:19846299] |
| ChEMBL | Displacement of [3H]UR-MN259 from SP-FLAG tagged human histamine H3 receptor expressed in HEK293T cells assessed as inhibition constant incubated for 60 min by scintillation counter analysis | B | 8.84 | pKi | 1.45 | nM | Ki | ACS Med Chem Lett (2023) 14: 1589-1595 [PMID:37974943] |
| ChEMBL | Antagonist potency against human H3 receptor in GTPgamma-S-Assay | F | 9.22 | pKi | 0.6 | nM | Ki | J Med Chem (2005) 48: 306-311 [PMID:15634025] |
| ChEMBL | Antagonist potency against human histamine H3 receptor expressed in CHO cells was determined by GTPgamma-S-assay | F | 9.24 | pKi | 0.58 | nM | Ki | J Med Chem (2004) 47: 2833-2838 [PMID:15139761] |
| ChEMBL | Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H3R expressed in baculovirus infected Sf9 insect cell membranes co-expressing RGS4 measured after 60 mins by microbeta scintillation counting method | B | 9.3 | pKi | 0.5 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Binding affinity in Nluc-hH3R assessed in HEK293 cells by NanoBRET binding assay | B | 9.3 | pKi | 0.5 | nM | Ki | J Med Chem (2021) 64: 11695-11708 [PMID:34309390] |
| GtoPdb | - | - | 9.41 | pKi | 0.39 | nM | Ki |
J Pharmacol Exp Ther (2003) 305: 887-96 [PMID:12606603]; J Pharmacol Exp Ther (2000) 293: 771-8 [PMID:10869375]; Biochem J (2001) 355: 279-88 [PMID:11284713]; J Pharmacol Exp Ther (2001) 299: 908-14 [PMID:11714875]; Br J Pharmacol (2000) 131: 1247-50 [PMID:11090094]; Eur J Pharmacol (2002) 453: 33-41 [PMID:12393057]; Mol Pharmacol (2001) 59: 420-6 [PMID:11179434] |
| ChEMBL | Binding affinity to SP-FLAG tagged human histamine H3 receptor expressed in HEK293T cells using sodium containing Leibovitz's L-15 medium incubated for 60 min by scintillation counter analysis | B | 9.46 | pKi | 0.35 | nM | Ki | ACS Med Chem Lett (2023) 14: 1589-1595 [PMID:37974943] |
| ChEMBL | Inhibition of UR-DEBa242 binding to human recombinant NLuc/GPCR-fused H3R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay | B | 9.47 | pKi | 0.34 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells | B | 9.47 | pKi | 0.34 | nM | Ki | J Med Chem (2008) 51: 2944-2953 [PMID:18433114] |
| ChEMBL | Displacement of clobenpropit-BODIPY-630/650 from recombinant human NLuc-fused H3R expressed in HEK293T cells by Nano-BRET assay | B | 9.6 | pKi | 0.25 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Displacement of Clobenpropit-BODIPY-630/650 from Nluc-tagged human histamine H3 receptor expressed in HEK293T cells incubated for 2 hrs by NanoBRET assay | B | 9.6 | pKi | 0.25 | nM | Ki | ACS Med Chem Lett (2023) 14: 1589-1595 [PMID:37974943] |
| ChEMBL | Antagonist activity at human H3 receptor by TR-FRET assay | F | 8.88 | pIC50 | 1.32 | nM | IC50 | Bioorg Med Chem (2021) 44: 116306-116306 [PMID:34274550] |
| ChEMBL | Antagonist activity at human histamine H3 receptor expressed in HEK293 cells preincubated for 5 mins followed by forskolin-stimulation and measured after 5 hrs by CRE-driven luciferase reporter gene assay | F | 8.94 | pIC50 | 1.15 | nM | IC50 | Eur J Med Chem (2021) 212: 113096-113096 [PMID:33395621] |
| ChEMBL | Antagonist activity against human histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced increase in intracellular calcium level by FLIPR assay | F | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 6246-6249 [PMID:20833043] |
| ChEMBL | Antagonist activity at human histamine H3 receptor expressed in CHO cells assessed as inhibition of forskolin/R-alpha-methylhistamine-induced cAMP accumulation after 1.5 hrs by TR-FRET immunoassay | F | 9.1 | pIC50 | 0.79 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 6415-6420 [PMID:24140447] |
| H3 receptor/Histamine H3 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3263] [GtoPdb: 264] [UniProtKB: P58406] | ||||||||
| ChEMBL | Displacement of 3-([1,1,1-3H]methyl)-2-(4-{[3-(1-pyrrolidinyl)propyl]oxy}phenyl)-4(3H)-quinazolinone from mouse histamine H3 receptor expressed in HEK293 cells | B | 9.22 | pKi | 0.6 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 4075-4078 [PMID:19553110] |
| GtoPdb | - | - | 9.5 | pKi | - | - | - | Eur J Pharmacol (2003) 467: 57-65 [PMID:12706455] |
| ChEMBL | Antagonist activity against mouse histamine H3 receptor expressed in human HT1080 cells assessed as inhibition of (R)-alpha-methylhistamine-induced increase in intracellular calcium level by FLIPR assay | F | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 6246-6249 [PMID:20833043] |
| ChEMBL | Inverse agonist activity at mouse histamine H3 receptor overexpressed in HEK293 cells by [35S]GTPgammaS binding assay | F | 8.77 | pEC50 | 1.7 | nM | EC50 | Bioorg Med Chem Lett (2009) 19: 4075-4078 [PMID:19553110] |
| H3 receptor/Histamine H3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4124] [GtoPdb: 264] [UniProtKB: Q9QYN8] | ||||||||
| ChEMBL | Inhibition of [125I]iodoproxyfan from rat histamine H3 receptor expressed in CHO-K1 cells | B | 8.85 | pKi | 1.4 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 951-954 [PMID:11294398] |
| ChEMBL | In vitro antagonistic activity against histamine H3-receptor in an assay with K+-evoked depolarisation-induced release of [3H]histamine of synaptosomes of rat cerebral cortex | F | 9.2 | pKi | 0.63 | nM | Ki | Bioorg Med Chem Lett (1996) 6: 2013-2018 |
| ChEMBL | Effect on histamine H3 receptors in vitro, on synaptosomes of rat cerebral cortex for the release of [3H]histamine | B | 9.22 | pKi | 0.6 | nM | Ki | J Med Chem (2000) 43: 3987-3994 [PMID:11052804] |
| ChEMBL | In vitro antagonistic activity against Histamine H3 receptor on Synaptosomes of rat cerebral cortex. | F | 9.22 | pKi | 0.6 | nM | Ki | J Med Chem (1996) 39: 1157-1163 [PMID:8676353] |
| ChEMBL | In vitro inhibitory activity against Histamine H3 receptor for K+ evoked depolarization-induced release of [3H]histamine from synaptosomes of rat cerebral cortex | B | 9.22 | pKi | 0.6 | nM | Ki | Bioorg Med Chem Lett (2000) 10: 2379-2382 [PMID:11055360] |
| ChEMBL | In vitro Histamine H3 receptor antagonist activity in an assay with K+-evoked depolarization-induced release of [3H]histamine from synaptosomes of rat cerebral cortex | F | 9.22 | pKi | 0.6 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 2011-2016 [PMID:9873477] |
| ChEMBL | In vitro antagonist potency at Histamine H3 receptor measured as K+-evoked [3H]histamine release from synaptosomes of rat cerebral cortex. | F | 9.22 | pKi | 0.6 | nM | Ki | J Med Chem (1998) 41: 4171-4176 [PMID:9767653] |
| ChEMBL | Effect at histamine H3 receptors (in vitro) on synaptosomes of rat cerebral cortex assayed by functional H3-receptor assay. | B | 9.22 | pKi | 0.6 | nM | Ki | J Med Chem (1999) 42: 593-600 [PMID:10052966] |
| ChEMBL | Compound was tested for its ability to displace [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex | B | 9.6 | pKi | 0.25 | nM | Ki | J Med Chem (2001) 44: 1666-1674 [PMID:11356102] |
| ChEMBL | Histamine H3 receptor affinity of compound was determined in rat cortical membranes using the H3 selective agonist ligand, [3H]N-alpha-methylhistamine | F | 9.74 | pKi | 0.18 | nM | Ki | Bioorg Med Chem Lett (1997) 7: 3017-3022 |
| ChEMBL | Inhibition of [3H]- N-alpha-methylhistamine from histamine H3 receptor | B | 9.74 | pKi | 0.18 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 1133-1138 [PMID:9871722] |
| ChEMBL | Binding affinity against H3 receptor in rat cerebral cortex membranes was evaluated using [3H]N-methyl-histamine as radioligand | B | 9.8 | pKi | 0.16 | nM | Ki | Bioorg Med Chem Lett (1996) 6: 833-838 |
| GtoPdb | - | - | 9.8 | pKi | - | - | - |
J Pharmacol Exp Ther (2003) 305: 887-96 [PMID:12606603]; J Pharmacol Exp Ther (2000) 293: 771-8 [PMID:10869375]; J Pharmacol Exp Ther (2001) 299: 908-14 [PMID:11714875]; Biochem Biophys Res Commun (2001) 280: 75-80 [PMID:11162480]; Br J Pharmacol (2000) 131: 1247-50 [PMID:11090094]; Eur J Pharmacol (2002) 453: 33-41 [PMID:12393057] |
| Histamine H3 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5076] [UniProtKB: Q9JI35] | ||||||||
| ChEMBL | Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homogenates of rat cerebral cortex | B | 9.8 | pKd | 0.16 | nM | Kd | J Med Chem (2001) 44: 1666-1674 [PMID:11356102] |
| H4 receptor/Histamine H4 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3759] [GtoPdb: 265] [UniProtKB: Q9H3N8] | ||||||||
| ChEMBL | Binding affinity to NLuc-tagged human H4R expressed in HEK293T cell homogenates using NanoGlo as substrate preincubated for 2 hrs followed by substrate addition measured after 5 min by NanoBRET saturation binding assay | B | 7.51 | pKd | 31 | nM | Kd | J Med Chem (2022) 65: 8258-8288 [PMID:35734860] |
| ChEMBL | Binding affinity to NLuc-tagged human H4R expressed in HEK293T cell homogenates using NanoGlo as substrate preincubated for 2 hrs followed by substrate addition measured after 5 min by NanoBRET saturation binding assay | B | 7.51 | pKd | 30.9 | nM | Kd | J Med Chem (2022) 65: 8258-8288 [PMID:35734860] |
| ChEMBL | Inhibition of UR-DEBa242 binding to human recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay | B | 7.11 | pKi | 77.62 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Displacement of UR-DEBa176 from human recombinant H4R expressed in HEK293T-SF-His6-CRE-Luc cells | B | 7.3 | pKi | 50.12 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Displacement of [3H]-histamine from human recombinant H4R stably expressed in human SK-N-MC cell membranes | B | 7.3 | pKi | 50.12 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Displacement of [3H]-UR-PI294 from Galphai2/Gbeta1gamma2-coupled human recombinant H4R expressed in baculovirus infected Sf9 insect cell membranes co-expressing RGS19 measured after 60 mins by microbeta scintillation counting method | B | 7.3 | pKi | 50.12 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Displacement of [3H]-histamine from human recombinant H4R stably expressed in human SK-N-MC cell homogenates | B | 7.3 | pKi | 50.12 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Displacement of [3H]JNJ7777120 from human H4 receptor E5.46Q mutant expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting | B | 7.3 | pKi | 50.12 | nM | Ki | J Med Chem (2011) 54: 8136-8147 [PMID:22003888] |
| ChEMBL | Displacement of [3H]-histamine from human recombinant H4R expressed in HEK293T cell homogenates | B | 7.3 | pKi | 50.12 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Displacement of clobenpropit-BODIPY-630/650 from recombinant human NLuc-fused H4R expressed in HEK293T cells by Nano-BRET assay | B | 7.4 | pKi | 39.81 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Displacement of [3H]histamine from human H4 receptor N4.57Y mutant expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting | B | 7.8 | pKi | 15.85 | nM | Ki | J Med Chem (2011) 54: 8136-8147 [PMID:22003888] |
| ChEMBL | Displacement of [3H]histamine from human H4 receptor V3.40A mutant expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting | B | 8 | pKi | 10 | nM | Ki | J Med Chem (2011) 54: 8136-8147 [PMID:22003888] |
| ChEMBL | Displacement of [3H]histamine from human H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting | B | 8 | pKi | 10 | nM | Ki | J Med Chem (2011) 54: 8136-8147 [PMID:22003888] |
| ChEMBL | Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting | B | 8 | pKi | 10 | nM | Ki | Bioorg Med Chem (2009) 17: 3987-3994 [PMID:19414267] |
| GtoPdb | - | - | 8.3 | pKi | 5.01 | nM | Ki |
J Pharmacol Exp Ther (2003) 305: 887-96 [PMID:12606603]; Mol Pharmacol (2001) 59: 420-6 [PMID:11179434]; J Pharmacol Exp Ther (2001) 299: 121-30 [PMID:11561071]; J Pharmacol Exp Ther (2001) 296: 1058-66 [PMID:11181941]; J Pharmacol Exp Ther (2005) 314: 1310-21 [PMID:15947036] |
| ChEMBL | Displacement of [3H]histamine from human histamine H4 receptor expressed in SK-NM-C cells | B | 8.3 | pKi | 5 | nM | Ki | J Med Chem (2008) 51: 3145-3153 [PMID:18459760] |
| ChEMBL | Displacement of [3H]histamine from human full-length histamine H4 receptor expressed in HEK293 cells after 60 mins | B | 8.37 | pKi | 4.3 | nM | Ki | Bioorg Med Chem (2011) 19: 2850-2858 [PMID:21498080] |
| ChEMBL | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells | B | 8.37 | pKi | 4.3 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 6682-6685 [PMID:19846299] |
| ChEMBL | Displacement of [3H]histamine from human H4 receptor T5.42A mutant expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting | B | 8.6 | pKi | 2.51 | nM | Ki | J Med Chem (2011) 54: 8136-8147 [PMID:22003888] |
| ChEMBL | Displacement of [3H]histamine from human H4 receptor T6.55M mutant expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting | B | 8.8 | pKi | 1.58 | nM | Ki | J Med Chem (2011) 54: 8136-8147 [PMID:22003888] |
| ChEMBL | Displacement of [3H]histamine from human H4 receptor Q7.42L mutant expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting | B | 9 | pKi | 1 | nM | Ki | J Med Chem (2011) 54: 8136-8147 [PMID:22003888] |
| ChEMBL | Agonist activity at human H4R by [35S]-GTPgammaS-binding assay | F | 7.65 | pEC50 | 22.39 | nM | EC50 | J Med Chem (2019) 62: 8338-8356 [PMID:31469288] |
| H4 receptor/Histamine H4 receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5657] [GtoPdb: 265] [UniProtKB: Q91ZY2] | ||||||||
| ChEMBL | Displacement of UR-DEBa176 from mouse recombinant H4R expressed in HEK293T-SF-His6-CRE-Luc cells | B | 6.8 | pKi | 158.49 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| ChEMBL | Inhibition of UR-DEBa242 binding to mouse recombinant NLuc/GPCR-fused H4R expressed in HEK293T cells measured after 30 mins by furimazine substrate based BRET assay | B | 6.91 | pKi | 123.03 | nM | Ki | J Med Chem (2020) 63: 5297-5311 [PMID:32420741] |
| GtoPdb | - | - | 7.8 | pKi | - | - | - | J Pharmacol Exp Ther (2001) 299: 121-30 [PMID:11561071] |
| ChEMBL | Agonist activity at mouse H4R by [35S]-GTPgammaS-binding assay | F | 6.07 | pEC50 | 851.14 | nM | EC50 | J Med Chem (2019) 62: 8338-8356 [PMID:31469288] |
| H4 receptor in Rat [GtoPdb: 265] [UniProtKB: Q91ZY1] | ||||||||
| GtoPdb | - | - | 7.2 | pKi | - | - | - | J Pharmacol Exp Ther (2001) 299: 121-30 [PMID:11561071] |
| H1 receptor in Human [GtoPdb: 262] [UniProtKB: P35367] | ||||||||
| GtoPdb | - | - | 5.6 | pKi | - | - | - | J Pharmacol Exp Ther (2003) 305: 887-96 [PMID:12606603] |
| H2 receptor in Human [GtoPdb: 263] [UniProtKB: P25021] | ||||||||
| GtoPdb | - | - | 5.2 | pKi | - | - | - | J Pharmacol Exp Ther (2003) 305: 887-96 [PMID:12606603] |
ChEMBL data shown on this page come from version 34:
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]
