cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2m90dp7
title: BindingDB Entry 50016400: Therapeutic potential of quinazoline derivatives for Alzheimer's disease: A comprehensive review.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Amyloid-beta precursor protein, Beta-secretase 1, Casein kinase I delta/epsilon, Cholinesterase, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 3, Cyclin-dependent kinase 4, Cyclin-dependent kinase 5, Dual specificity protein kinase CLK1, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Dual specificity tyrosine-phosphorylation-regulated kinase 1B, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Dual specificity tyrosine-phosphorylation-regulated kinase 3, Glycogen synthase kinase-3 alpha, Glycogen synthase kinase-3 beta, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, Potassium voltage-gated channel subfamily H member 2, cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot O42275, O43781, P05067, P06276, P06493, P11802, P21397, P22303, P24941, P27338, P27815, P48730, P49674, P49759, P49840, P49841, P56817, P81908, Q00526, Q00535, Q07343, Q08493, Q08499, Q12809, Q13627, Q13946, Q92630, and Q9Y463
DOI: 10.7270/q2r215ch
title: BindingDB Entry 50016399: P2Y

description: Small molecule binding data for protein P2Y purinoceptor 1 and P2Y purinoceptor 12, Uniprot P47900 and Q9H244
DOI: 10.7270/q2vt1x23
title: BindingDB Entry 50016398: Coumarin-benzimidazole hybrids: A review of developments in medicinal chemistry.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 2, and Serum paraoxonase/arylesterase 1, Uniprot P00915, P00918, and P27169
DOI: 10.7270/q20k2djc
title: BindingDB Entry 50016396: Adenosine receptor antagonists: Recent advances and therapeutic perspective.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A3, and Amine oxidase [flavin-containing] B, Uniprot P0DMS8, P27338, P29274, P29275, and P30542
DOI: 10.7270/q24b359j
title: BindingDB Entry 50016395: Therapeutic potential for coxibs-nitric oxide releasing hybrids in cystic fibrosis.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1, Uniprot P05979
DOI: 10.7270/q2833x1w
title: BindingDB Entry 50016394: Small-molecule inhibitors of breast cancer-related targets: Potential therapeutic agents for breast cancer.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Cyclin-dependent kinase 6/G1/S-specific cyclin-D3, Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 8, Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 2, and Serine/threonine-protein kinase PLK1, Uniprot O60885, P09874, P30281, P53350, Q00534, Q13547, Q92769, Q9BY41, and Q9UGN5
DOI: 10.7270/q2cv4nqf
title: BindingDB Entry 50016393: Small molecule therapeutics for tauopathy in Alzheimer's disease: Walking on the path of most resistance.

description: Small molecule binding data for protein Beta-secretase 1, Glycogen synthase kinase-3 beta, Histone acetyltransferase p300, Histone deacetylase 6, and Microtubule-associated protein tau, Uniprot P10636, P49841, P56817, Q09472, and Q9UBN7
DOI: 10.7270/q2hh6q3r
title: BindingDB Entry 50016391: Peptidomimetic nitrile warheads as SARS-CoV-2 3CL protease inhibitors.

description: Small molecule binding data for protein Cathepsin B, Cathepsin S, Procathepsin L, and Replicase polyprotein 1ab, Uniprot P07711, P07858, P0DTD1, and P25774
DOI: 10.7270/q2n87fsm
title: BindingDB Entry 50016390: Stereoisomers of an Aryl Pyrazole Glucocorticoid Receptor Agonist Scaffold Elicit Differing Anti-inflammatory Responses.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P06536
DOI: 10.7270/q2s186gw
title: BindingDB Entry 50016389: Oral Nonpeptidic, Noncovalent Triazine Coronavirus Main Protease Inhibitors for Treating COVID-19.

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q2ws8z7c
title: BindingDB Entry 50016386: Orexin Receptor Agonists as Possible Treatment for Narcolepsy and Idiopathic Hypersomnia.

description: Small molecule binding data for protein Orexin receptor type 2, Uniprot O43614
DOI: 10.7270/q21j9fsj
title: BindingDB Entry 50016384: Multicomponent Macrocyclic IL-17a Modifier.

description: Small molecule binding data for protein Interleukin-17A, Uniprot Q16552
DOI: 10.7270/q25b06ht
title: BindingDB Entry 50016383: Discovery of Desmuramylpeptide NOD2 Agonists with Single-Digit Nanomolar Potency.

description: Small molecule binding data for protein Nucleotide-binding oligomerization domain-containing protein 2, Uniprot Q9HC29
DOI: 10.7270/q2930z58
title: BindingDB Entry 50016381: Small-Molecule Inhibitors of the MLL1 CXXC Domain, an Epigenetic Reader of DNA Methylation.

description: Small molecule binding data for protein CXXC-type zinc finger protein 4, CXXC-type zinc finger protein 5, F-box/LRR-repeat protein 19, Histone-lysine N-methyltransferase 2A, Lysine-specific demethylase 2A, Lysine-specific demethylase 2B, Methylcytosine dioxygenase TET1, and Methylcytosine dioxygenase TET3, Uniprot O43151, Q03164, Q6PCT2, Q7LFL8, Q8NFU7, Q8NHM5, Q9H2H0, and Q9Y2K7
DOI: 10.7270/q2dr30hs
title: BindingDB Entry 50016379: Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3.

description: Small molecule binding data for protein Galectin-1, Galectin-3, and Galectin-9, Uniprot O00182, P09382, P16110, and P17931
DOI: 10.7270/q2jh3r57
title: BindingDB Entry 50016378: Development of an Orally Active Small-Molecule Inhibitor of Receptor Activator of Nuclear Factor-κB Ligand.

description: Small molecule binding data for protein Tumor necrosis factor ligand superfamily member 11, Uniprot O14788
DOI: 10.7270/q2p84gwj
title: BindingDB Entry 50016376: Novel Antagonist of the Type 2 Lysophosphatidic Acid Receptor (LPA

description: Small molecule binding data for protein Lysophosphatidic acid receptor 1, Lysophosphatidic acid receptor 2, and Lysophosphatidic acid receptor 3, Uniprot Q92633, Q9HBW0, and Q9UBY5
DOI: 10.7270/q2t157nq
title: BindingDB Entry 50016375: Discovery of a Highly Potent and Selective Dual PROTAC Degrader of CDK12 and CDK13.

description: Small molecule binding data for protein Cyclin-dependent kinase 12 and Cyclin-dependent kinase 13/Cyclin-K, Uniprot O75909, Q14004, and Q9NYV4
DOI: 10.7270/q2xs60dk
title: BindingDB Entry 50016370: Unveiling the Structure-Activity Relationships at the Orthosteric Binding Site of P2X Ion Channels: The Route to Selectivity.

description: Small molecule binding data for protein P2X purinoceptor 1, P2X purinoceptor 2/3, P2X purinoceptor 3, P2X purinoceptor 4, and P2X purinoceptor 7, Uniprot P51575, P56373, Q99571, Q99572, and Q9UBL9
DOI: 10.7270/q22j6gwg
title: BindingDB Entry 50016369: Pyrrospirones K-Q, Decahydrofluorene-Class Alkaloids from the Marine-Derived Fungus

description: Small molecule binding data for protein Receptor-type tyrosine-protein phosphatase C, Receptor-type tyrosine-protein phosphatase F, Tyrosine-protein phosphatase non-receptor type 1, Tyrosine-protein phosphatase non-receptor type 2, and Tyrosine-protein phosphatase non-receptor type 6, Uniprot P08575, P10586, P17706, P18031, and P29350
DOI: 10.7270/q26977kr
title: BindingDB Entry 50016368: Novel Macrocyclic Urea Orexin Receptor Agonists for Treating Sleep Disorders.

description: Small molecule binding data for protein Orexin receptor type 2, Uniprot O43614
DOI: 10.7270/q29z98wf
title: BindingDB Entry 50016366: SARS-CoV-2: Novel Therapeutic Approaches for Diagnosis and Treatment.

description: Small molecule binding data for protein Integrin alpha-V/beta-6, Uniprot P06756 and P18564
DOI: 10.7270/q2fr01k8
title: BindingDB Entry 50016365: 6,7-Dihydro-5

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372
DOI: 10.7270/q2kh0s9m
title: BindingDB Entry 50016363: Tetrazole Derivatives as TRPA1 Inhibitors for Treating Idiopathic Lung Disease or Cough.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762
DOI: 10.7270/q2q81j2s
title: BindingDB Entry 50016362: Novel MRGX2 Antagonists for Treating Diseases.

description: Small molecule binding data for protein Mas-related G-protein coupled receptor member X2, Uniprot Q96LB1
DOI: 10.7270/q2v128tj
title: BindingDB Entry 50016359: Benzimidazolone Derivatives as DGAT2 Inhibitors for Treating Diseases.

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 2, Uniprot Q96PD7
DOI: 10.7270/q2zs31jz
title: BindingDB Entry 50016358: Novel N-Linked Isoquinoline Amides as LRRK2 Inhibitors for Treating Parkinson's Disease.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2, Uniprot Q5S007
DOI: 10.7270/q23j3hzz
title: BindingDB Entry 50016357: Discovery and Mechanistic Study of

description: Small molecule binding data for protein Pup--protein ligase, Uniprot P9WNU7 and Q8NQE1
DOI: 10.7270/q2765kb8
title: BindingDB Entry 50016356: Optimization of Covalent MKK7 Inhibitors

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 7, Uniprot O14733
DOI: 10.7270/q2bz6b17
title: BindingDB Entry 50016354: Ynamide Electrophile for the Profiling of Ligandable Carboxyl Residues in Live Cells and the Development of New Covalent Inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2gq72rj
title: BindingDB Entry 50016353: General Pharmacological Activation Mechanism of K

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily KQT member 2, Potassium voltage-gated channel subfamily KQT member 4, and Potassium voltage-gated channel subfamily KQT member 5, Uniprot O43526, P56696, and Q9NR82
DOI: 10.7270/q2mg7thb
title: BindingDB Entry 50016352: Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.

description: Small molecule binding data for protein Bromodomain testis-specific protein and Bromodomain-containing protein 4, Uniprot O60885 and Q58F21
DOI: 10.7270/q2r78k72
title: BindingDB Entry 50016351: Discovery of Novel Pyrazolopyrimidines as Potent, Selective, and Orally Bioavailable Inhibitors of ALK2.

description: Small molecule binding data for protein Activin receptor type-1, Bone morphogenetic protein receptor type-1A, Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Fibroblast growth factor receptor 3, Hepcidin, Serine/threonine-protein kinase receptor R3, and TGF-beta receptor type-1, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P22607, P33261, P36894, P36897, P37023, P81172, and Q04771
DOI: 10.7270/q2w099zc
title: BindingDB Entry 50016350: Designing a Small Fluorescent Inhibitor to Investigate Soluble Epoxide Hydrolase Engagement in Living Cells.

description: Small molecule binding data for protein Bifunctional epoxide hydrolase 2, Uniprot P34913 and P34914
DOI: 10.7270/q20r9tdx
title: BindingDB Entry 50016348: Development of BET Inhibitors as Potential Treatments for Cancer: Optimization of Pharmacokinetic Properties.

description: Small molecule binding data for protein Bromodomain-containing protein 2, Bromodomain-containing protein 3, and Bromodomain-containing protein 4, Uniprot O60885, P25440, and Q15059
DOI: 10.7270/q24f1vrx
title: BindingDB Entry 50016347: Design, Synthesis, and Biological Activity of l-1'-Homologated Adenosine Derivatives.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, and Peroxisome proliferator-activated receptor gamma, Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q2862mf6
title: BindingDB Entry 50016346: Development of Urea-Bond-Containing Michael Acceptors as Antitrypanosomal Agents Targeting Rhodesain.

description: Small molecule binding data for protein Cysteine protease, Uniprot Q95PM0
DOI: 10.7270/q2cz3c5m
title: BindingDB Entry 50016345: Discovery and Optimization of Seven-Membered Lactam-Based Compounds to Phenocopy the Inhibition of the Aurora Kinase B.

description: Small molecule binding data for protein Aurora kinase B, Uniprot Q96GD4
DOI: 10.7270/q2hq43xc
title: BindingDB Entry 50016344: Conformational-Design-Driven Discovery of EZM0414: A Selective, Potent SETD2 Inhibitor for Clinical Studies.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1B, Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, D(2) dopamine receptor, and Histone-lysine N-methyltransferase SETD2, Uniprot P05177, P08684, P10632, P10635, P11712, P14416, P20813, P28222, P33261, and Q9BYW2
DOI: 10.7270/q2ng4vp5
title: BindingDB Entry 50016343: Discovery of Benzylpiperazine Derivatives as CNS-Penetrant and Selective Histone Deacetylase 6 Inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 4, Histone deacetylase 6, and Potassium voltage-gated channel subfamily H member 2, Uniprot P56524, Q12809, Q13547, and Q9Z2V5
DOI: 10.7270/q2s75mcf
title: BindingDB Entry 50016342: Inhibitor Screen Identifies Covalent Inhibitors of the Protein Histidine Phosphatase PHPT1.

description: Small molecule binding data for protein 14 kDa phosphohistidine phosphatase and Mediator of RNA polymerase II transcription subunit 25, Uniprot Q71SY5 and Q9NRX4
DOI: 10.7270/q2x06c2q
title: BindingDB Entry 50016341: A New Chemotype of Chemically Tractable Nonsteroidal Estrogens Based on a Thieno[2,3-

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372
DOI: 10.3886/e192933
title: Proposals for inclusion of MENA category in national health surveys

description: This data repository includes supporting data files for proposals to include a Middle Eastern and North African category in national health surveys.<br>
DOI: 10.3886/e192933v1
title: Proposals for inclusion of MENA category in national health surveys

description: This data repository includes supporting data files for proposals to include a Middle Eastern and North African category in national health surveys.<br>
DOI: 10.7270/q21n854c
title: BindingDB Entry 50016340: Semisynthesis of Hypothemycin Analogues Targeting the C8-C9 Diol.

description: Small molecule binding data for protein Nuclear receptor subfamily 2 group C member 2/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, Uniprot P49116 and Q15750
DOI: 10.7270/q25d8wtv
title: BindingDB Entry 50016339: Discovery, Optimization, and Evaluation of Potent and Selective PI3Kδ-γ Dual Inhibitors for the Treatment of B-cell Malignancies.

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P42336, P42338, and P48736
DOI: 10.7270/q2959njk
title: BindingDB Entry 50016338: Structure-Activity Relationships and Antileukemia Effects of the Tricyclic Benzoic Acid FTO Inhibitors.

description: Small molecule binding data for protein Alpha-ketoglutarate-dependent dioxygenase FTO, Uniprot Q9C0B1
DOI: 10.5281/zenodo.8179239
title: Anti-Aligning Self-Propelled Particles Data Set

description: Simulation Data from agent-based simulations, using aappp software (see https://github.com/kuersten/aappp) and numerical values of eigenvectors of linear stability analysis. Data refers to the paper https://doi.org/10.48550/arXiv.2304.05476
description: The author acknowledges funding through a 'María Zambrano' postdoctoral grant at University of Barcelona financed by the Spanish Ministerio de Universidades and the European Union (Next Generation EU/PRTR). The author thanks Universitätsrechenzentrum Greifswald for supporting this work by providing computational resources.
DOI: 10.7270/q2dz0d90
title: BindingDB Entry 50016337: Small-Molecule Gankyrin Inhibition as a Therapeutic Strategy for Breast and Lung Cancer.

description: Small molecule binding data for protein 26S proteasome non-ATPase regulatory subunit 10, Uniprot O75832
DOI: 10.5281/zenodo.8179238
title: Anti-Aligning Self-Propelled Particles Data Set

description: Simulation Data from agent-based simulations, using aappp software (see https://github.com/kuersten/aappp) and numerical values of eigenvectors of linear stability analysis. Data refers to the paper https://doi.org/10.48550/arXiv.2304.05476
description: The author acknowledges funding through a 'María Zambrano' postdoctoral grant at University of Barcelona financed by the Spanish Ministerio de Universidades and the European Union (Next Generation EU/PRTR). The author thanks Universitätsrechenzentrum Greifswald for supporting this work by providing computational resources.
DOI: 10.7270/q2jq151q
title: BindingDB Entry 50016336: Examining the Role of the Linker in Bitopic

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2pg1wrn
title: BindingDB Entry 50016333: Structure-Based Discovery of a Series of NSD2-PWWP1 Inhibitors.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase NSD2 and Histone-lysine N-methyltransferase NSD3, Uniprot O96028 and Q9BZ95
DOI: 10.7270/q2t72nfx
title: BindingDB Entry 50016332: Identification and Characterization of Natural and Semisynthetic Quinones as Aurora Kinase Inhibitors.

description: Small molecule binding data for protein Aurora kinase A and Aurora kinase B, Uniprot O14965 and Q96GD4
DOI: 10.7270/q2xw4pth
title: BindingDB Entry 50016331: Hybrid Diterpenic Meroterpenoids from an Endophytic

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q22n568r
title: BindingDB Entry 50016327: Selectivity through Targeted Protein Degradation (TPD).

description: Small molecule binding data for protein Signal transducer and activator of transcription 1-alpha/beta, Signal transducer and activator of transcription 3, and Signal transducer and activator of transcription 4, Uniprot P40763, P42224, and Q14765
DOI: 10.7270/q26d5z03
title: BindingDB Entry 50016323: Medicinal Chemistry Perspective on Targeting Mono-ADP-Ribosylating PARPs with Small Molecules.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 2, Poly [ADP-ribose] polymerase tankyrase-1, Poly [ADP-ribose] polymerase tankyrase-2, Protein mono-ADP-ribosyltransferase PARP10, Protein mono-ADP-ribosyltransferase PARP11, Protein mono-ADP-ribosyltransferase PARP12, Protein mono-ADP-ribosyltransferase PARP14, Protein mono-ADP-ribosyltransferase PARP15, Protein mono-ADP-ribosyltransferase PARP16, Protein mono-ADP-ribosyltransferase PARP3, Protein mono-ADP-ribosyltransferase PARP4, Protein mono-ADP-ribosyltransferase PARP6, Protein mono-ADP-ribosyltransferase PARP8, Protein mono-ADP-ribosyltransferase PARP9, and Protein mono-ADP-ribosyltransferase TIPARP, Uniprot O95271, P09874, Q2NL67, Q460N3, Q460N5, Q53GL7, Q7Z3E1, Q8IXQ6, Q8N3A8, Q8N5Y8, Q9H0J9, Q9H2K2, Q9NR21, Q9UGN5, Q9UKK3, and Q9Y6F1
DOI: 10.7270/q2b56prv
title: BindingDB Entry 50016320: Peptidomimetics: An Overview of Recent Medicinal Chemistry Efforts toward the Discovery of Novel Small Molecule Inhibitors.

description: Small molecule binding data for protein Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, Peptide deformylase, mitochondrial, and Transcription factor 4, Uniprot P0AEK4, P15884, and Q9HBH1
DOI: 10.7270/q2fx7fhq
title: BindingDB Entry 50016318: Medicinal Chemistry Strategies for the Development of Bruton's Tyrosine Kinase Inhibitors against Resistance.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2kp865j
title: BindingDB Entry 50016316: Hybrids of polyphenolic acids and xanthone, the potential preventive and therapeutic effects on PD: Design, synthesis, in vitro anti-aggregation of α-synuclein, and disaggregation against the existed α-synuclein oligomer and fibril.

description: Small molecule binding data for protein Alpha-synuclein, Uniprot P37840
DOI: 10.7270/q2qf8xv1
title: BindingDB Entry 50016315: Design, synthesis and biological evaluation of novel indole derivatives as gut-selective NaPi2b inhibitors.

description: Small molecule binding data for protein Sodium-dependent phosphate transport protein 2B, Uniprot O95436 and Q9JJ09
DOI: 10.7270/q2v41078
title: BindingDB Entry 50016314: Discovery of novel benzimidazole derivatives as potent p300 bromodomain inhibitors with anti-proliferative activity in multiple cancer cells.

description: Small molecule binding data for protein Histone acetyltransferase p300, Uniprot Q09472
DOI: 10.7270/q2zw1qxf
title: BindingDB Entry 50016313: Angiotensin II AT2 receptor ligands with phenylthiazole scaffolds.

description: Small molecule binding data for protein Type-1 angiotensin II receptor, Type-1 angiotensin II receptor A, and Type-2 angiotensin II receptor, Uniprot P25095, P30556, P50052, and Q2XUH7
DOI: 10.7270/q23n27d4
title: BindingDB Entry 50016309: Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q27d3059
title: BindingDB Entry 50016308: Targeting Enhancer of Zeste Homolog 2 for the Treatment of Hematological Malignancies and Solid Tumors: Candidate Structure-Activity Relationships Insights and Evolution Prospects.

description: Small molecule binding data for protein Adenosylhomocysteinase, Histone-lysine N-methyltransferase EHMT2, Histone-lysine N-methyltransferase EZH1, Histone-lysine N-methyltransferase EZH2, and Poly [ADP-ribose] polymerase 1, Uniprot P09874, P23526, Q15910, Q92800, and Q96KQ7
DOI: 10.7270/q2c53qw7
title: BindingDB Entry 50016305: Novel non-covalent LSD1 inhibitors endowed with anticancer effects in leukemia and solid tumor cellular models.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Histone-lysine N-methyltransferase EHMT2, Histone-lysine N-methyltransferase EZH2, Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-lysine methyltransferase KMT5A, Protein arginine N-methyltransferase 1, and REST corepressor 1, Uniprot P21397, P27338, Q15910, Q8TEK3, Q96KQ7, Q99873, Q9NQR1, and Q9UKL0
DOI: 10.7270/q2gx4gk6
title: BindingDB Entry 50016303: Optimization of 4-arylthiophene-3-carboxylic acid derivatives as inhibitors of ANO1: Lead optimization studies toward their analgesic efficacy for inflammatory pain.

description: Small molecule binding data for protein Anoctamin-1, Anoctamin-2, and Potassium voltage-gated channel subfamily H member 2, Uniprot Q12809, Q5XXA6, and Q9NQ90
DOI: 10.7270/q2mp578g
title: BindingDB Entry 50016301: Structure-activity relationship and antitumor activity of 1,4-pyrazine-containing inhibitors of histone acetyltransferases P300/CBP.

description: Small molecule binding data for protein CREB-binding protein, Histone acetyltransferase KAT2B, Histone acetyltransferase KAT6A [507-778], and Histone acetyltransferase p300, Uniprot Q09472, Q92793, Q92794, and Q92831