cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2tb1bg9
title: BindingDB Entry 50011155: Lead discovery, chemical optimization, and biological evaluation studies of novel histone methyltransferase SET7 small-molecule inhibitors.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase SETD7, Uniprot Q8WTS6
DOI: 10.7270/q2tb1bhr
title: BindingDB Entry 50011511: Potent and Selective Inhibitors of MTH1 Probe Its Role in Cancer Cell Survival.

description: Small molecule binding data for protein Oxidized purine nucleoside triphosphate hydrolase [42-197] and Toll-like receptor 7, Uniprot P36639 and Q9NYK1
DOI: 10.7270/q2tb1bj6
title: BindingDB Entry 50011785: Identification of DOT1L inhibitors by structure-based virtual screening adapted from a nucleoside-focused library.

description: Small molecule binding data for protein DNA (cytosine-5)-methyltransferase 1, Histone-lysine N-methyltransferase EHMT2, Histone-lysine N-methyltransferase EZH2, Histone-lysine N-methyltransferase SETD7, Histone-lysine N-methyltransferase, H3 lysine-79 specific, Protein arginine N-methyltransferase 3, Protein arginine N-methyltransferase 5, and Protein arginine N-methyltransferase 7, Uniprot O14744, O60678, P26358, Q15910, Q8TEK3, Q8WTS6, Q96KQ7, and Q9NVM4
DOI: 10.7270/q2tb1bkn
title: BindingDB Entry 50012131: Identification of 2,4-Disubstituted Imidazopyridines as Hemozoin Formation Inhibitors with Fast-Killing Kinetics and

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q2tb1bm3
title: BindingDB Entry 50012746: Discovery of quinoline-based irreversible BTK inhibitors.

description: Small molecule binding data for protein Cytoplasmic tyrosine-protein kinase BMX, Epidermal growth factor receptor, Receptor tyrosine-protein kinase erbB-2, Receptor tyrosine-protein kinase erbB-4, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase TXK, and Tyrosine-protein kinase Tec, Uniprot P00533, P04626, P42680, P42681, P51451, P51813, P52333, Q06187, Q08881, and Q15303
DOI: 10.7270/q2tb1bnj
title: BindingDB Entry 50013406: Design, synthesis, and electrophysiological evaluation of NS6740 derivatives: Exploration of the structure-activity relationship for alpha7 nicotinic acetylcholine receptor silent activation.

description: Small molecule binding data for protein Neuronal acetylcholine receptor subunit alpha-7, Uniprot P36544
DOI: 10.7270/q2tb1bp0
title: BindingDB Entry 50014037: Design, synthesis and preliminary bioactivity evaluation of bitopic benzopyranomorpholine analogues as selective dopamine D3 receptor ligands as anti-drug addiction therapeutic agents.

description: Small molecule binding data for protein D(2) dopamine receptor and D(3) dopamine receptor, Uniprot P14416 and P35462
DOI: 10.7270/q2tb1bqf
title: BindingDB Entry 50014696: From virtual screening hits targeting a cryptic pocket in BACE-1 to a nontoxic brain permeable multitarget anti-Alzheimer lead with disease-modifying and cognition-enhancing effects.

description: Small molecule binding data for protein Acetylcholinesterase, Beta-secretase 1, and Cholinesterase, Uniprot P06276, P22303, and P56817
DOI: 10.7270/q2tf01db
title: BindingDB Entry 9295: Biphenyl compound or salt thereof

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2tf01fs
title: BindingDB Entry 9682: Combinations comprising substituted imidazo[1,5-a]pyrazinones 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/q2tf01g7
title: BindingDB Entry 10069: Inhibitors of lysine specific demethylase-1

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2tf01hp
title: BindingDB Entry 10456: Proteasome activity enhancing compounds

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 14, Uniprot P54578
DOI: 10.7270/q2tf01j4
title: BindingDB Entry 10665: Substituted cyclohexyl compounds as NOP inhibiiors

description: Small molecule binding data for protein Nociceptin receptor, Uniprot P41146
DOI: 10.7270/q2tf01kk
title: BindingDB Entry 10843: Substituted eneoxindoles and uses thereof

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 1, Uniprot Q92918
DOI: 10.7270/q2tf01m1
title: BindingDB Entry 50006834: Synthesis and biological evaluation of arylpiperazine derivatives as potential anti-prostate cancer agents.

description: Small molecule binding data for protein Androgen receptor, Uniprot P15207
DOI: 10.7270/q2tf01ng
title: BindingDB Entry 50007434: Enzymatic Preparation of 2'-5',3'-5'-Cyclic Dinucleotides, Their Binding Properties to Stimulator of Interferon Genes Adaptor Protein, and Structure/Activity Correlations.

description: Small molecule binding data for protein Stimulator of interferon genes protein, Uniprot Q86WV6
DOI: 10.7270/q2tf01px
title: BindingDB Entry 50008042: Discovery of Imidazoisoindole Derivatives as Highly Potent and Orally Active Indoleamine-2,3-dioxygenase Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Indoleamine 2,3-dioxygenase 1, and Tryptophan 2,3-dioxygenase, Uniprot P05177, P08684, P10635, P11712, P14902, P33261, and P48775
DOI: 10.7270/q2tf01qc
title: BindingDB Entry 50008662: Sulfonylated Benzothiazoles as Inhibitors of Endothelial Lipase.

description: Small molecule binding data for protein Endothelial lipase, Hepatic triacylglycerol lipase, Lipoprotein lipase, and Pancreatic triacylglycerol lipase, Uniprot P06858, P11150, P16233, and Q9Y5X9
DOI: 10.7270/q2tf01rt
title: BindingDB Entry 50009308: Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening.

description: Small molecule binding data for protein Bromodomain adjacent to zinc finger domain protein 2A and Bromodomain-containing protein 4, Uniprot O60885 and Q9UIF9
DOI: 10.7270/q2tf01s8
title: BindingDB Entry 50009636: Investigation of Novel Primary and Secondary Pharmacophores and 3-Substitution in the Linking Chain of a Series of Highly Selective and Bitopic Dopamine D

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C, D(2) dopamine receptor, and D(3) dopamine receptor, Uniprot P08908, P14416, P28223, P28335, and P35462
DOI: 10.7270/q2tf01tq
title: BindingDB Entry 50009915: South (S)- and North (N)-Methanocarba-7-Deazaadenosine Analogues as Inhibitors of Human Adenosine Kinase.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2B, 5-hydroxytryptamine receptor 7, and Adenosine kinase, Uniprot P34969, P41595, and P55263
DOI: 10.7270/q2tf01v5
title: BindingDB Entry 50010224: Ligand binding cooperativity: Bioisosteric replacement of CO with SO2 among thrombin inhibitors.

description: Small molecule binding data for protein Prothrombin, Uniprot P00734
DOI: 10.7270/q2tf01wm
title: BindingDB Entry 50010822: Environment-sensitive fluorescent inhibitors of histone deacetylase.

description: Small molecule binding data for protein Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 6, Histone deacetylase 7, and Histone deacetylase 8, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2tf01x2
title: BindingDB Entry 50011453: Proposed Allosteric Inhibitors Bind to the ATP Site of CK2α.

description: Small molecule binding data for protein Casein kinase II subunit alpha, Uniprot P68400
DOI: 10.7270/q2tf01zh
title: BindingDB Entry 50012079: Flavonoids with Inhibitory Effects on NLRP3 Inflammasome Activation from

description: Small molecule binding data for protein NACHT, LRR and PYD domains-containing protein 3, Uniprot Q96P20
DOI: 10.7270/q2tf020c
title: BindingDB Entry 50012406: Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK2, Uniprot O60674
DOI: 10.7270/q2tf021t
title: BindingDB Entry 50012698: Discovery of benzo[f]pyrido[4,3-b][1,4]oxazepin-10-one derivatives as orally available bromodomain and extra-terminal domain (BET) inhibitors with efficacy in an in vivo psoriatic animal model.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, CREB-binding protein, Histone acetyltransferase p300, and Mitogen-activated protein kinase 7, Uniprot O60885, P25440, P40989, Q09472, Q13164, Q15059, Q58F21, and Q92793
DOI: 10.7270/q2tf0228
title: BindingDB Entry 50013046: Identification of methyl (5-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)-4-(trifluoromethyl)pyridin-2-yl)carbamate (CYH33) as an orally bioavailable, highly potent, PI3K alpha inhibitor for the treatment of advanced solid tumors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 4B1, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, RAF proto-oncogene serine/threonine-protein kinase, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P04049, P13584, P27986, P40989, P42336, P42338, and P42345
DOI: 10.7270/q2tf023q
title: BindingDB Entry 50013361: Pyrido[2,3-b][1,5]benzoxazepin-5(6H)-one derivatives as CDK8 inhibitors.

description: Small molecule binding data for protein Cyclin-dependent kinase 19, Cyclin-dependent kinase 7, Cyclin-dependent kinase 8, Dual specificity protein kinase CLK4, and Epithelial discoidin domain-containing receptor 1, Uniprot P49336, P50613, Q08345, Q9BWU1, and Q9HAZ1
DOI: 10.7270/q2tf0245
title: BindingDB Entry 50013706: Pharmacological characterization of a new series of carbamoylguanidines reveals potent agonism at the H

description: Small molecule binding data for protein D(2) dopamine receptor, D(3) dopamine receptor, Histamine H1 receptor, Histamine H2 receptor, Histamine H3 receptor, and Histamine H4 receptor, Uniprot P14416, P25021, P35367, P35462, P47747, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2tf025m
title: BindingDB Entry 50014335: Structure-Based Design and Discovery of Pyridyl-Bearing Fused Bicyclic HIV-1 Inhibitors: Synthesis, Biological Characterization, and Molecular Modeling Studies.

description: Small molecule binding data for protein Reverse transcriptase/RNaseH, Uniprot Q72547
DOI: 10.7270/q2th8qqc
title: BindingDB Entry 9086: Oxopicolinamide derivative, preparation method therefor and pharmaceutical use thereof

description: Small molecule binding data for protein Coagulation factor XI, Uniprot P03951
DOI: 10.6084/m9.figshare.21547851
title: Supplementary data for the manuscript: LINC00886 negatively regulates malignancy in anaplastic thyroid cancer

description: Table S1. The information of patients and samples from the FUSCC Table S2. Sequences for lncRNA smart silencer, siRNA and the primers Table S3. RNA sequencing data of LINC00886 knockdown in CAL-62 Table S4. Antibodies used in this study Table S5. The 65 differential lncRNAs screened out in DDTC Table S6. The top 10 lncRNAs deregulated in DDTC Table S7. GSEA of LINC00886 knockdown, ATC and PTC Table S8. Potential LINC00886-interacting proteins screened out by RNA pulldown assays Fig. S1 Clinicopathological associations of LINC00886 expression in thyroid cancer Fig. S2 The basic feature of LINC00886 and clinicopathological associations in ATC Fig. S3 The biological signaling pathways identified by GSEA in PTC and ATC
DOI: 10.6084/m9.figshare.21547851.v1
title: Supplementary data for the manuscript: LINC00886 negatively regulates malignancy in anaplastic thyroid cancer

description: Table S1. The information of patients and samples from the FUSCC Table S2. Sequences for lncRNA smart silencer, siRNA and the primers Table S3. RNA sequencing data of LINC00886 knockdown in CAL-62 Table S4. Antibodies used in this study Table S5. The 65 differential lncRNAs screened out in DDTC Table S6. The top 10 lncRNAs deregulated in DDTC Table S7. GSEA of LINC00886 knockdown, ATC and PTC Table S8. Potential LINC00886-interacting proteins screened out by RNA pulldown assays Fig. S1 Clinicopathological associations of LINC00886 expression in thyroid cancer Fig. S2 The basic feature of LINC00886 and clinicopathological associations in ATC Fig. S3 The biological signaling pathways identified by GSEA in PTC and ATC
DOI: 10.7270/q2th8qrt
title: BindingDB Entry 9264: Benzimidazole derivatives as EP4 ligands

description: Small molecule binding data for protein Prostaglandin E2 receptor EP4 subtype, Uniprot P35408
DOI: 10.7270/q2th8qs8
title: BindingDB Entry 9473: Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer

description: Small molecule binding data for protein Amiloride-sensitive amine oxidase [copper-containing], Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Lysyl oxidase homolog 2, and Protein-lysine 6-oxidase, Uniprot P19801, P21397, P27338, P28301, P45845, and Q9Y4K0
DOI: 10.7270/q2th8qtq
title: BindingDB Entry 9651: Modulators of P97 AAA ATPase activity

description: Small molecule binding data for protein Transitional endoplasmic reticulum ATPase, Uniprot P55072
DOI: 10.7270/q2th8qv5
title: BindingDB Entry 9860: Pyrazole compounds substituted with heteroaryl and pharmaceutical use thereof

description: Small molecule binding data for protein Sodium/glucose cotransporter 1, Uniprot P13866
DOI: 10.7270/q2th8qwm
title: BindingDB Entry 10247: Purinones as ubiquitin-specific protease 1 inhibitors

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 1, Uniprot O94782
DOI: 10.7270/q2th8qx2
title: BindingDB Entry 10634: Inhibitors of fibroblast growth factor receptor kinases

description: Small molecule binding data for protein Fibroblast growth factor receptor 2, Uniprot P21802
DOI: 10.7270/q2th8qzh
title: BindingDB Entry 50006784: Identification of ABX-1431, a Selective Inhibitor of Monoacylglycerol Lipase and Clinical Candidate for Treatment of Neurological Disorders.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Cytochrome P450 3A5, Monoacylglycerol lipase ABHD6, Monoglyceride lipase, and Platelet-activating factor acetylhydrolase, Uniprot O35678, P05177, P08684, P10635, P11712, P20815, P33261, Q13093, Q99685, and Q9BV23
DOI: 10.7270/q2th8r0c
title: BindingDB Entry 50007100: Design, Synthesis, and Biological Evaluation of Amidobenzimidazole Derivatives as Stimulator of Interferon Genes (STING) Receptor Agonists.

description: Small molecule binding data for protein Interferon regulatory factor 3 and Stimulator of interferon genes protein, Uniprot Q14653 and Q86WV6
DOI: 10.7270/q2th8r1t
title: BindingDB Entry 50007379: Identification of α-Mangostin as a Potential Inhibitor of Microtubule Affinity Regulating Kinase 4.

description: Small molecule binding data for protein MAP/microtubule affinity-regulating kinase 4, Uniprot Q96L34
DOI: 10.7270/q2th8r28
title: BindingDB Entry 50007713: Synthesis of urea analogues bearing N-alkyl-N'-(thiophen-2-yl) scaffold and evaluation of their innate immune response to toll-like receptors.

description: Small molecule binding data for protein Toll-like receptor 1 and Toll-like receptor 2, Uniprot O60603 and Q15399
DOI: 10.7270/q2th8r3q
title: BindingDB Entry 50008314: A-C Estrogens as Potent and Selective Estrogen Receptor-Beta Agonists (SERBAs) to Enhance Memory Consolidation under Low-Estrogen Conditions.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 3A4, Estrogen receptor, and Estrogen receptor beta, Uniprot P03372, P08684, P11712, and Q92731
DOI: 10.7270/q2th8r45
title: BindingDB Entry 50008969: Isolation and Biological Activity of 8- Epitetrodotoxin and the Structure of a Possible Biosynthetic Shunt Product of Tetrodotoxin, Cep-226A, from the Newt Cynops ensicauda popei.

description: Small molecule binding data for protein Sodium channel protein type 1/2/3/4/5/8/9/10/11 subunit alpha, Uniprot O08562, O88420, O88457, P04774, P04775, P08104, P15389, P15390, P97706, and Q62968
DOI: 10.7270/q2th8r5m
title: BindingDB Entry 50009580: Structural Basis of Altered Potency and Efficacy Displayed by a Major in Vivo Metabolite of the Antidiabetic PPARγ Drug Pioglitazone.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor gamma, Uniprot P37231
DOI: 10.7270/q2th8r62
title: BindingDB Entry 50010184: Sclerotiamide: The First Non-Peptide-Based Natural Product Activator of Bacterial Caseinolytic Protease P.

description: Small molecule binding data for protein ATP-dependent Clp protease proteolytic subunit, Uniprot P0A6G7
DOI: 10.7270/q2th8r7h
title: BindingDB Entry 50010484: Design, synthesis and biological evaluation of Proteolysis Targeting Chimeras (PROTACs) as a BTK degraders with improved pharmacokinetic properties.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2th8r8z
title: BindingDB Entry 50010771: Discovery of BMS-986251: A Clinically Viable, Potent, and Selective RORγt Inverse Agonist.

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, Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 1 group I member 2, Oxysterols receptor LXR-alpha, and Oxysterols receptor LXR-beta, Uniprot O75469, P05177, P08684, P10632, P10635, P11712, P33261, P35398, P51449, P51450, P55055, Q13133, and Q92753
DOI: 10.7270/q2th8r9d
title: BindingDB Entry 50011112: Discovery and optimization of 4-oxo-2-thioxo-thiazolidinones as NOD-like receptor (NLR) family, pyrin domain-containing protein 3 (NLRP3) inhibitors.

description: Small molecule binding data for protein NACHT, LRR and PYD domains-containing protein 3, Uniprot Q96P20
DOI: 10.7270/q2th8rbv
title: BindingDB Entry 50011737: 2-Aminopyridine-Based Mitogen-Activated Protein Kinase Kinase Kinase Kinase 4 (MAP4K4) Inhibitors: Assessment of Mechanism-Based Safety.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Aurora kinase A, Cytochrome P450 1A2, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Misshapen-like kinase 1, Mitogen-activated protein kinase kinase kinase kinase 4, TRAF2 and NCK-interacting protein kinase, Tyrosine-protein kinase ABL1, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O14965, O76074, O95819, P00519, P05177, P08684, P10632, P10635, P11712, P40989, Q8N4C8, and Q9UKE5
DOI: 10.7270/q2th8rc9
title: BindingDB Entry 50012357: Structure-Based Drug Design and Synthesis of PI3Kα-Selective Inhibitor (PF-06843195).

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta 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, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P27986, P42336, P42338, and P42345
DOI: 10.7270/q2th8rdr
title: BindingDB Entry 50012987: Discovery of Highly Selective and Potent HDAC3 Inhibitors Based on a 2-Substituted Benzamide Zinc Binding Group.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Histone deacetylase 1/2/3/8, 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, P40989, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2th8rf6
title: BindingDB Entry 50013656: Design, synthesis and biological evaluation of dual mTOR/HDAC6 inhibitors in MDA-MB-231 cells.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 6, and Serine/threonine-protein kinase mTOR, Uniprot O15379, P42345, Q13547, Q92769, and Q9UBN7
DOI: 10.7270/q2th8rgn
title: BindingDB Entry 50013981: Pyrazole Agonist of the Apelin Receptor Improves Symptoms of Metabolic Syndrome in Mice.

description: Small molecule binding data for protein Apelin receptor and Type-1 angiotensin II receptor, Uniprot P30556, P35414, and Q9WV08
DOI: 10.7270/q2th8rh3
title: BindingDB Entry 50014281: Discovery and optimization of 2-((1H-indol-3-yl)thio)-N-benzyl-acetamides as novel SARS-CoV-2 RdRp inhibitors.

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q2th8rjj
title: BindingDB Entry 50014643: Novel Substituted Heteroaryl Compounds for Treating Huntington's Disease.

description: Small molecule binding data for protein Huntingtin, Uniprot P42858
DOI: 10.7270/q2tm7f43
title: BindingDB Entry 9055: Substituted triazolopiperazine PARP inhibitor, preparation method therefor and use thereof

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Uniprot P09874
DOI: 10.7270/q2tm7f5j
title: BindingDB Entry 9442: 2,6-disubstituted pyridine derivative

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, D(2) dopamine receptor, D(4) dopamine receptor, and Potassium voltage-gated channel subfamily H member 2, Uniprot P08908, P14416, P21917, and Q12809
DOI: 10.7270/q2tm7f60
title: BindingDB Entry 9829: Compounds and compositions for inhibiting the activity of SHP2

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 11, Uniprot Q06124
DOI: 10.7270/q2tm7f7f
title: BindingDB Entry 10038: Tetrahydroquinoline derivatives as P2X7 receptor antagonists

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q2tm7f8w
title: BindingDB Entry 10216: Methods for treating GI tract disorders

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, D(1A) dopamine receptor, D(2) dopamine receptor, D(3) dopamine receptor, and Histamine H1 receptor, Uniprot P14416, P21728, P28223, P31389, and P35462
DOI: 10.7270/q2tm7f9b
title: BindingDB Entry 10425: KDM1A inhibitors for the treatment of disease

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2tm7fbs
title: BindingDB Entry 10812: Anti-inflammatory compound, and preparation and use thereof

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2tm7fc7
title: BindingDB Entry 50007055: Validation of Human Sterol 14α-Demethylase (CYP51) Druggability: Structure-Guided Design, Synthesis, and Evaluation of Stoichiometric, Functionally Irreversible Inhibitors.

description: Small molecule binding data for protein Lanosterol 14-alpha demethylase, Uniprot Q16850