cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q270856k
title: BindingDB Entry 50014240: Design, synthesis and evaluation of novel 5-phenylthiophene derivatives as potent fungicidal of Candida albicans and antifungal reagents of fluconazole-resistant fungi.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q2708571
title: BindingDB Entry 50014530: Inhibition of BACE1 and Amyloid-β Aggregation by Meroterpenoids from the Mushroom

description: Small molecule binding data for protein Amyloid-beta precursor protein and Beta-secretase 1, Uniprot P05067 and P56817
DOI: 10.7270/q2736tzk
title: BindingDB Entry 9199: Rho kinase inhibitors

description: Small molecule binding data for protein Rho-associated protein kinase 1 and Rho-associated protein kinase 2, Uniprot O75116 and Q13464
DOI: 10.7270/q2736v0f
title: BindingDB Entry 9586: Inhibitors of cyclin-dependent kinase 7 (CDK7)

description: Small molecule binding data for protein Cyclin-dependent kinase 7, Uniprot P50613
DOI: 10.7270/q2736v1w
title: BindingDB Entry 9973: Benzimidazole-proline derivatives

description: Small molecule binding data for protein Orexin receptor type 2 and Orexin/Hypocretin receptor type 1, Uniprot O43613 and O43614
DOI: 10.7270/q2736v2b
title: BindingDB Entry 10182: Methods and compositions of inhibiting DCN1-UBC12 interaction

description: Small molecule binding data for protein DCN1-like protein 1/NEDD8-conjugating enzyme Ubc12, Uniprot P61081 and Q96GG9
DOI: 10.7270/q2736v3s
title: BindingDB Entry 10360: DIHYDROOROTATE DEHYDROGENASE INHIBITORS

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot Q02127
DOI: 10.7270/q2736v47
title: BindingDB Entry 10569: Protease inhibitors

description: Small molecule binding data for protein Cathepsin K, Cathepsin S, and Procathepsin L, Uniprot P07711, P25774, and P43235
DOI: 10.7270/q2736v5p
title: BindingDB Entry 10747: Derivatives of an FGFR inhibitor

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, and Fibroblast growth factor receptor 3, Uniprot P11362, P21802, and P22607
DOI: 10.7270/q2736v64
title: BindingDB Entry 50006680: Discovery of Potent and Orally Bioavailable Inverse Agonists of the Retinoic Acid Receptor-Related Orphan Receptor C2.

description: Small molecule binding data for protein Nuclear receptor ROR-alpha and Nuclear receptor ROR-gamma, Uniprot P35398, P51449, and P51450
DOI: 10.7270/q2736v7k
title: BindingDB Entry 50007270: Targeting the immunity protein kinases for immuno-oncology.

description: Small molecule binding data for protein Interleukin-1 receptor-associated kinase 4, MAP kinase-interacting serine/threonine-protein kinase 1, MAP kinase-interacting serine/threonine-protein kinase 2, Macrophage-stimulating protein receptor, Non-receptor tyrosine-protein kinase TYK2, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform, 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, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Serine/threonine-protein kinase pim-1, Serine/threonine-protein kinase pim-2, Serine/threonine-protein kinase pim-3, TGF-beta receptor type-1, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O00329, O60674, P11309, P23458, P27986, P29597, P36897, P42336, P42338, P48736, P52333, Q04912, Q86V86, Q9BUB5, Q9HBH9, Q9NWZ3, and Q9P1W9
DOI: 10.7270/q2736v81
title: BindingDB Entry 50007879: Application of hydrazino and hydrazido linkers to connect benzenesulfonamides with hydrophilic/phobic tails for targeting the middle region of human carbonic anhydrases active site: Selective inhibitors of hCA IX.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2736v9g
title: BindingDB Entry 50008486: New Dual Small Molecules for Alzheimer's Disease Therapy Combining Histamine H

description: Small molecule binding data for protein Cholinesterase, Histamine H3 receptor, Histamine H4 receptor, and Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S, Uniprot O60840, P06276, Q01668, Q13698, Q13936, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2736vbx
title: BindingDB Entry 50008869: Optimization of oxadiazole derivatives with a spirocyclic cyclohexane structure as novel GPR119 agonists.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Glucose-dependent insulinotropic receptor, Uniprot P05177, P08684, P10632, P10635, P11712, P33261, and Q8TDV5
DOI: 10.7270/q2736vcc
title: BindingDB Entry 50009141: Synthesis and characterization of novel isoform-selective IP6K1 inhibitors.

description: Small molecule binding data for protein Inositol hexakisphosphate kinase 1, Inositol hexakisphosphate kinase 2, and Inositol hexakisphosphate kinase 3, Uniprot Q92551, Q96PC2, and Q9UHH9
DOI: 10.7270/q2736vdt
title: BindingDB Entry 50009489: Design, synthesis and biological evaluation of novel desloratadine derivatives with anti-inflammatory and H

description: Small molecule binding data for protein Histamine H1 receptor, Uniprot P35367
DOI: 10.7270/q2736vf8
title: BindingDB Entry 50010096: Exploration of substituted arylpiperazine-tetrazoles as promising dual norepinephrine and dopamine reuptake inhibitors.

description: Small molecule binding data for protein Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2736vgq
title: BindingDB Entry 50010662: Dual Targeting of Norepinephrine Transporter (NET) Function and Thyrointegrin αvβ3 Receptors in the Treatment of Neuroblastoma.

description: Small molecule binding data for protein Integrin alpha-V/beta-3, Uniprot P05106 and P06756
DOI: 10.7270/q2736vh5
title: BindingDB Entry 50011296: Recent Advances of SHP2 Inhibitors in Cancer Therapy: Current Development and Clinical Application.

description: Small molecule binding data for protein Protein phosphatase 1D, Tyrosine-protein phosphatase non-receptor type 1, Tyrosine-protein phosphatase non-receptor type 11, and Tyrosine-protein phosphatase non-receptor type 6, Uniprot O15297, P18031, P29350, and Q06124
DOI: 10.7270/q2736vjm
title: BindingDB Entry 50011928: Lead optimization of 2-hydroxymethyl imidazoles as non-hydroxamate LpxC inhibitors: Discovery of TP0586532.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q2736vk2
title: BindingDB Entry 50012255: Synthesis, inhibitory activity and in silico docking of dual COX/5-LOX inhibitors with quinone and resorcinol core.

description: Small molecule binding data for protein Polyunsaturated fatty acid 5-lipoxygenase, Prostaglandin G/H synthase 1, and Prostaglandin G/H synthase 2, Uniprot P05979, P09917, and P35354
DOI: 10.7270/q2736vmh
title: BindingDB Entry 50012554: Neuroprotective effect of synthetic chalcone derivatives as competitive dual inhibitors against μ-calpain and cathepsin B through the downregulation of tau phosphorylation and insoluble Aβ peptide formation.

description: Small molecule binding data for protein Calpain-1 catalytic subunit, Cathepsin B, and Procathepsin L, Uniprot P07384, P07711, and P07858
DOI: 10.7270/q2736vnz
title: BindingDB Entry 50012885: Discovery of thiapyran-pyrimidine derivatives as potential EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2736vpd
title: BindingDB Entry 50013524: Optimization of the Urea Linker of Triazolopyridazine MMV665917 Results in a New Anticryptosporidial Lead with Improved Potency and Predicted hERG Safety Margin.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and Beta-2 adrenergic receptor, Uniprot P07550 and P40989
DOI: 10.7270/q2736vqv
title: BindingDB Entry 50014182: Development of 2-(5,6,7-Trifluoro-1

description: Small molecule binding data for protein Androgen receptor, Uniprot P10275
DOI: 10.7270/q2765jc9
title: BindingDB Entry 9168: Imidazopyridazine compounds

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4C, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot P27815, Q07343, Q08493, and Q08499
DOI: 10.7270/q2765jdr
title: BindingDB Entry 9377: Aminopyrazoles as janus kinase inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase JAK1 and Tyrosine-protein kinase JAK2, Uniprot O60674 and P23458
DOI: 10.7270/q2765jf6
title: BindingDB Entry 9764: [1,2,4]triazolo[1,5-a]pyrimidin-7-yl compound

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cGMP-dependent 3',5'-cyclic phosphodiesterase, and cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, Uniprot O00408, Q14432, and Q9QYJ6
DOI: 10.7270/q2765jgn
title: BindingDB Entry 10151: 1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ones and 1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-ones as PDE1 inhibitors

description: Small molecule binding data for protein Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, and Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C, Uniprot P54750, Q01064, and Q14123
DOI: 10.7270/q2765jh3
title: BindingDB Entry 10538: SUBSTITUTED 1H-PYRAZOLO[4,3-C]PYRIDINES AND DERIVATIVES AS EGFR INHIBITORS

description: Small molecule binding data for protein Epidermal growth factor receptor [1-18,20-1210,C797S], Epidermal growth factor receptor [1-18,20-1210,T790M,C797S], Epidermal growth factor receptor [1-18,20-1210,T790M], Epidermal growth factor receptor [1-18,20-1210], Epidermal growth factor receptor [L858R,C797S], Epidermal growth factor receptor [L858R,T790M,C797S], Epidermal growth factor receptor [L858R], Epidermal growth factor receptor [T790M,L858R], and Epidermal growth factor receptor/Interleukin-3, Uniprot P00533 and P08700
DOI: 10.7270/q2765jjj
title: BindingDB Entry 10925: EP4 antagonist

description: Small molecule binding data for protein Prostaglandin E2 receptor EP3 subtype and Prostaglandin E2 receptor EP4 subtype, Uniprot P35408 and P43115
DOI: 10.7270/q2765jk0
title: BindingDB Entry 50006953: Discovery of Novel Neuraminidase Inhibitors by Structure-Based Virtual Screening, Structural Optimization, and Bioassay.

description: Small molecule binding data for protein Neuraminidase, Uniprot P03468
DOI: 10.7270/q2765jmf
title: BindingDB Entry 50007216: Discovery of Tetrahydropyridopyrimidines as Irreversible Covalent Inhibitors of KRAS-G12C with In Vivo Activity.

description: Small molecule binding data for protein GTPase KRas, Uniprot P01116
DOI: 10.7270/q2765jnw
title: BindingDB Entry 50007561: Design, synthesis and preliminary bioactivity studies of indomethacin derivatives as Bcl-2/Mcl-1 dual inhibitors.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-2-like protein 1, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, and Q07820
DOI: 10.7270/q2765jpb
title: BindingDB Entry 50008164: Design, synthesis and biological evaluation of novel 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole triazole derivatives as potent TRPV1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2765jqs
title: BindingDB Entry 50008815: Design and synthesis of a novel series of cyanoindole derivatives as potent γ-secretase modulators.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Presenilin-1, Uniprot P05177, P08684, P10632, P10635, P11712, P33261, P40989, and P49768
DOI: 10.7270/q2765jr7
title: BindingDB Entry 50009430: Discovery of dual-acting opioid ligand and TRPV1 antagonists as novel therapeutic agents for pain.

description: Small molecule binding data for protein Mu-type opioid receptor and Transient receptor potential cation channel subfamily V member 1, Uniprot P35372 and Q8NER1
DOI: 10.7270/q2765jsp
title: BindingDB Entry 50009775: 3,17β-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity.

description: Small molecule binding data for protein Carbonic anhydrase 2 and Carbonic anhydrase 9, Uniprot P00918 and Q16790
DOI: 10.7270/q2765jt4
title: BindingDB Entry 50010045: Coumarin derivatives as potential inhibitors of acetylcholinesterase: Synthesis, molecular docking and biological studies.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P21836 and P22303
DOI: 10.7270/q2765jvk
title: BindingDB Entry 50010350: Isocadiolides A-H: Polybrominated Aromatics from a

description: Small molecule binding data for protein Isocitrate lyase and Sortase family protein, Uniprot Q9P8Q7 and Q9S446
DOI: 10.7270/q2765jw1
title: BindingDB Entry 50010605: Sulfonimide and Amide Derivatives as Novel PPARα Antagonists: Synthesis, Antiproliferative Activity, and Docking Studies.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha and Peroxisome proliferator-activated receptor gamma, Uniprot P37231 and Q07869
DOI: 10.7270/q2765jxg
title: BindingDB Entry 50010960: Learning Molecular Representations for Medicinal Chemistry.

description: Small molecule binding data for protein Epithelial discoidin domain-containing receptor 1, Uniprot Q08345
DOI: 10.7270/q2765jzx
title: BindingDB Entry 50011594: Design, synthesis and biological evaluation of imidazolopyridone derivatives as novel BRD4 inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2765k0s
title: BindingDB Entry 50012208: Design, Synthesis, and Preclinical Evaluation of Fused Pyrimidine-Based Hydroxamates for the Treatment of Hepatocellular Carcinoma.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 3A4, DNA-dependent protein kinase catalytic subunit, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, Phosphatidylinositol 3-kinase catalytic subunit type 3, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, 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, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphatidylinositol 4-kinase beta, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta, Polyamine deacetylase HDAC10, and Serine/threonine-protein kinase mTOR, Uniprot O00329, O00443, O00750, O15379, P08684, P27986, P40989, P42336, P42338, P42345, P48736, P56524, P78527, Q13547, Q8NEB9, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBF8, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2765k17
title: BindingDB Entry 50012829: Discovery of First-in-Class Protein Arginine Methyltransferase 5 (PRMT5) Degraders.

description: Small molecule binding data for protein Methylosome protein 50/Protein arginine N-methyltransferase 5, Uniprot O14744 and Q9BQA1
DOI: 10.7270/q2765k2p
title: BindingDB Entry 50013192: Discovery of a potent G-protein-coupled receptor 119 agonist for the treatment of type 2 diabetes.

description: Small molecule binding data for protein Glucose-dependent insulinotropic receptor, Uniprot Q8TDV5
DOI: 10.7270/q2765k34
title: BindingDB Entry 50013477: From Celecoxib to a Novel Class of Phosphodiesterase 5 Inhibitors: Trisubstituted Pyrazolines as Novel Phosphodiesterase 5 Inhibitors with Extremely High Potency and Phosphodiesterase Isozyme Selectivity.

description: Small molecule binding data for protein Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha', Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cGMP-dependent 3',5'-cyclic phosphodiesterase, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O60658, O76074, O76083, P51160, P54750, Q07343, Q13946, Q14432, Q9HCR9, and Q9Y233
DOI: 10.7270/q2765k4k
title: BindingDB Entry 50013821: Design, synthesis, evaluation, and SAR of 4-phenylindoline derivatives, a novel class of small-molecule inhibitors of the programmed cell death-1/ programmed cell death-ligand 1 (PD-1/PD-L1) interaction.

description: Small molecule binding data for protein Programmed cell death 1 ligand/protein 1, Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q2765k51
title: BindingDB Entry 50014474: Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds.

description: Small molecule binding data for protein Thiol:disulfide interchange protein DsbA, Uniprot P0AEG4
DOI: 10.7270/q27947r5
title: BindingDB Entry 9346: Benzofuran derivative, preparation method thereof and use thereof in medicine

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EZH2 [A677G] and Histone-lysine N-methyltransferase EZH2 [Y641F], Uniprot Q15910
DOI: 10.7270/q27947sm
title: BindingDB Entry 9555: Pyrazolopyridine derivative having GLP-1 receptor agonist effect

description: Small molecule binding data for protein Glucagon-like peptide 1 receptor, Uniprot P43220
DOI: 10.7270/q27947t2
title: BindingDB Entry 9733: 4-imidazopyridazin-1-yl-benzamides as Btk inhibitors

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase Src, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Fyn, Tyrosine-protein kinase Lck, and Tyrosine-protein kinase Lyn, Uniprot P06239, P06241, P07948, P12931, and Q06187
DOI: 10.7270/q27947vh
title: BindingDB Entry 9942: 1, 4, 6-trisubstituted-2-alkyl-1H-benzo[d]imidazole derivatives as dihydroorotate oxygenase inhibitors

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot Q02127
DOI: 10.7270/q27947wz
title: BindingDB Entry 10329: [1,2,4]Triazolo[4,3-A]pyrazin-6(5H)-one derivatives

description: Small molecule binding data for protein Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C, Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha/beta, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, and cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, Uniprot P16499, P35913, P54750, Q01064, Q08499, Q14123, and Q14432
DOI: 10.7270/q27947xd
title: BindingDB Entry 10716: Amine compound for inhibiting SSAO/VAP-1 and use thereof

description: Small molecule binding data for protein Membrane primary amine oxidase, Uniprot Q16853
DOI: 10.7270/q27947zv
title: BindingDB Entry 50006901: Discovery and development of extreme selective inhibitors of the ITD and D835Y mutant FLT3 kinases.

description: Small molecule binding data for protein Aurora kinase A, Fibroblast growth factor receptor 1/2/3/4, Macrophage colony-stimulating factor 1 receptor, Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor alpha, Platelet-derived growth factor receptor beta, Proto-oncogene tyrosine-protein kinase Src, Proto-oncogene tyrosine-protein kinase receptor Ret, Receptor-type tyrosine-protein kinase FLT3, and Vascular endothelial growth factor receptor 2, Uniprot O14965, P07333, P07949, P09619, P10721, P11362, P12931, P16234, P21802, P22455, P22607, P35968, and P36888
DOI: 10.7270/q279480q
title: BindingDB Entry 50007516: Meroterpenoids with BACE1 Inhibitory Activity from the Fruiting Body of

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2794815
title: BindingDB Entry 50007836: Discovery of tropinone-thiazole derivatives as potent caspase 3/7 activators, and noncompetitive tyrosinase inhibitors with high antiproliferative activity: Rational design, one-pot tricomponent synthesis, and lipophilicity determination.

description: Small molecule binding data for protein Polyphenol oxidase 2, Uniprot O42713
DOI: 10.7270/q279482m
title: BindingDB Entry 50008120: Novel N-Substituted oseltamivir derivatives as potent influenza neuraminidase inhibitors: Design, synthesis, biological evaluation, ADME prediction and molecular docking studies.

description: Small molecule binding data for protein Neuraminidase, Uniprot P03471
DOI: 10.7270/q2794832
title: BindingDB Entry 50008440: Natural dimers of coumarin, chalcones, and resveratrol and the link between structure and pharmacology.

description: Small molecule binding data for protein Cathepsin L2, DNA topoisomerase 2-alpha, Glucagon-like peptide 1 receptor, Probable maltase-glucoamylase 2, and Reverse transcriptase, Uniprot O60911, P11388, P43220, Q2M2H8, and Q9WKE8
DOI: 10.7270/q279484h
title: BindingDB Entry 50009094: Synthesis of N-hydroxycinnamoyl amide derivatives and evaluation of their anti-oxidative and anti-tyrosinase activities.

description: Small molecule binding data for protein Polyphenol oxidase 2, Uniprot O42713
DOI: 10.7270/q279485z
title: BindingDB Entry 50009719: A novel class of anthraquinone-based HDAC6 inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, and Polyamine deacetylase HDAC10, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q279486d
title: BindingDB Entry 50010301: Bialternacins A-F, Aromatic Polyketide Dimers from an Endophytic Alternaria sp.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q279487v
title: BindingDB Entry 50010914: GSK973 Is an Inhibitor of the Second Bromodomains (BD2s) of the Bromodomain and Extra-Terminal (BET) Family.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and Bromodomain-containing protein 4, Uniprot O60885 and P40989