cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2w3816v
title: BindingDB Entry 50014789: Structure-Based Design of a Selective Class I Histone Deacetylase (HDAC) Near-Infrared (NIR) Probe for Epigenetic Regulation Detection in Triple-Negative Breast Cancer (TNBC).

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2), 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, Q9UQL6, and Q9Y618
DOI: 10.7270/q2rb78g4
title: BindingDB Entry 50014790: Allosteric Modulation: Dynamics is Double-"E"dged.

description: Small molecule binding data for protein Protein arginine N-methyltransferase 6, Uniprot Q96LA8
DOI: 10.7270/q2mk6hrd
title: BindingDB Entry 50014797: Designed β-Hairpins Inhibit LDH5 Oligomerization and Enzymatic Activity.

description: Small molecule binding data for protein L-lactate dehydrogenase A chain, Uniprot P00338
DOI: 10.7270/q2gt5s13
title: BindingDB Entry 50014799: Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3

description: Small molecule binding data for protein RAF proto-oncogene serine/threonine-protein kinase and Serine/threonine-protein kinase B-raf, Uniprot P04049 and P15056
DOI: 10.7270/q2c25192
title: BindingDB Entry 50014800: Discovery of Anti-TNBC Agents Targeting PTP1B: Total Synthesis, Structure-Activity Relationship,

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1, Uniprot P18031
DOI: 10.7270/q27d3002
title: BindingDB Entry 50014803: A "Two-Birds-One-Stone" Approach toward the Design of Bifunctional Human Immunodeficiency Virus Type 1 Entry Inhibitors Targeting the CCR5 Coreceptor and gp41 N-Terminal Heptad Repeat Region.

description: Small molecule binding data for protein C-C chemokine receptor type 5, Uniprot P51681
DOI: 10.7270/q23n278b
title: BindingDB Entry 50014804: Structure-Guided Design of a "Bump-and-Hole" Bromodomain-Based Degradation Tag.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2zw1qt3
title: BindingDB Entry 50014805: Design, Synthesis, and Characterization of Novel

description: Small molecule binding data for protein Protein kinase C alpha type and Protein kinase C epsilon type, Uniprot P17252 and Q02156
DOI: 10.7270/q2v4103g
title: BindingDB Entry 50014806: Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 5A, mitochondrial, Carbonic anhydrase 5B, mitochondrial, Carbonic anhydrase 7, Carbonic anhydrase 9, and Telomerase reverse transcriptase, Uniprot O14746, O43570, P00915, P00918, P35218, P43166, Q16790, and Q9Y2D0
DOI: 10.7270/q2qc07d6
title: BindingDB Entry 50014808: Discovery of Cyclic Peptidomimetic Ligands Targeting the Extracellular Domain of EGFR.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2kk9gpx
title: BindingDB Entry 50014809: Synthesis and Preclinical Validation of Novel Indole Derivatives as a GPR17 Agonist for Glioblastoma Treatment.

description: Small molecule binding data for protein Uracil nucleotide/cysteinyl leukotriene receptor, Uniprot Q13304
DOI: 10.7270/q2ft8qxr
title: BindingDB Entry 50014810: Novel carbohydrate-based sulfonamide derivatives as selective carbonic anhydrase II inhibitors: Synthesis, biological and molecular docking analysis.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q2b56pkm
title: BindingDB Entry 50014811: Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).

description: Small molecule binding data for protein Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial and C-1-tetrahydrofolate synthase, cytoplasmic, Uniprot P11586 and P13995
DOI: 10.7270/q26d5xvw
title: BindingDB Entry 50014814: Design, synthesis, and cholinesterase inhibition assay of liquiritigenin derivatives as anti-Alzheimer's activity.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q22n565d
title: BindingDB Entry 50014815: Synthetic Glycolipids as Molecular Vaccine Adjuvants: Mechanism of Action in Human Cells and In Vivo Activity.

description: Small molecule binding data for protein Toll-like receptor 4/MD-2, Uniprot O00206 and Q9Y6Y9
DOI: 10.7270/q2xw4ppq
title: BindingDB Entry 50014818: Mechanistic Investigation of Site-specific DNA Methylating Agents Targeting Breast Cancer Cells.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372
DOI: 10.7270/q2t43xz9
title: BindingDB Entry 50014820: Conjugates Derived from Lapatinib Derivatives with Cancer Cell Stemness Inhibitors Effectively Reversed Drug Resistance in Triple-Negative Breast Cancer.

description: Small molecule binding data for protein Aldehyde dehydrogenase 1A1 and Epidermal growth factor receptor, Uniprot P00352 and P00533
DOI: 10.7270/q2pc367c
title: BindingDB Entry 50014821: Subtle Chemical Changes Cross the Boundary between Agonist and Antagonist: New A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q2jm2fhn
title: BindingDB Entry 50014822: Discovery of the Bruton's Tyrosine Kinase Inhibitor Clinical Candidate TAK-020 (

description: Small molecule binding data for protein Cytoplasmic tyrosine-protein kinase BMX, Epidermal growth factor receptor, Proto-oncogene tyrosine-protein kinase Src, 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 Lck, and Tyrosine-protein kinase TXK, Uniprot P00533, P06239, P12931, P42681, P51451, P51813, P52333, Q06187, Q08881, and Q15303
DOI: 10.7270/q2dz0d56
title: BindingDB Entry 50014823: Haloperidol Metabolite II Valproate Ester (

description: Small molecule binding data for protein Sigma non-opioid intracellular receptor 1, Uniprot Q60492
DOI: 10.7270/q2959nf7
title: BindingDB Entry 50014824: Potent and Selective Inhibitors of the Epidermal Growth Factor Receptor to Overcome C797S-Mediated Resistance.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q25d8wqh
title: BindingDB Entry 50014825: A Novel Mitragynine Analog with Low-Efficacy Mu Opioid Receptor Agonism Displays Antinociception with Attenuated Adverse Effects.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q21n850k
title: BindingDB Entry 50014826: Pillar[5]arene-Based Polycationic Glyco[2]rotaxanes Designed as

description: Small molecule binding data for protein Fucose-binding lectin PA-IIL, Uniprot Q9HYN5
DOI: 10.7270/q2ww7njb
title: BindingDB Entry 50014827: Discovery of Extremely Selective Fused Pyridine-Derived β-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2, Uniprot P56817 and Q9Y5Z0
DOI: 10.7270/q2s46wtx
title: BindingDB Entry 50014829: Discovery of clinical candidate Sivopixant (S-600918): Lead optimization of dioxotriazine derivatives as selective P2X3 receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, P2X purinoceptor 1, P2X purinoceptor 2, P2X purinoceptor 3, P2X purinoceptor 4, and P2X purinoceptor 7, Uniprot P05177, P08684, P10635, P11712, P33261, P49654, P51575, P56373, Q99571, Q99572, and Q9UBL9
DOI: 10.7270/q2nc652j
title: BindingDB Entry 50014830: Design, synthesis and biological evaluation of new thiazole scaffolds as potential TRPM8 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily M member 8, Uniprot Q7Z2W7
DOI: 10.7270/q2hq43sk
title: BindingDB Entry 50014835: Computational Design of Potent D-Peptide Inhibitors of SARS-CoV-2.

description: Small molecule binding data for protein Spike glycoprotein, Uniprot P0DTC2
DOI: 10.7270/q2cz3c28
title: BindingDB Entry 50014837: Design, synthesis and biological evaluation of macrocyclic derivatives as TRK inhibitors.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, BDNF/NT-3 growth factors receptor, High affinity nerve growth factor receptor, NT-3 growth factor receptor, and Proto-oncogene tyrosine-protein kinase ROS, Uniprot P04629, P08922, Q16288, Q16620, and Q9UM73
DOI: 10.7270/q2862mbv
title: BindingDB Entry 50014838: Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.

description: Small molecule binding data for protein Ricin, Uniprot P02879
DOI: 10.7270/q24f1vm4
title: BindingDB Entry 50014840: Optimization and Evaluation of Novel Antifungal Agents for the Treatment of Fungal Infection.

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2, Uniprot Q12809
DOI: 10.7270/q20p13ws
title: BindingDB Entry 50014842: Imaging Autotaxin

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Uniprot Q13822
DOI: 10.7270/q2vx0mc2
title: BindingDB Entry 50014843: Discovery of novel aminosaccharide-based sulfonamide derivatives as potential carbonic anhydrase II inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790
DOI: 10.7270/q2r49vn3
title: BindingDB Entry 50014844: Structure-Based Design of Dual-Acting Compounds Targeting Adenosine A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A3, 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, P0DMS8, P29274, P29275, P30542, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2mg7tcj
title: BindingDB Entry 50014845: Stapled Peptides Targeting SARS-CoV-2 Spike Protein HR1 Inhibit the Fusion of Virus to Its Cell Receptor.

description: Small molecule binding data for protein Spike glycoprotein, Uniprot P0DTC2
DOI: 10.7270/q2gq72n6
title: BindingDB Entry 50014846: First-in-Class Inhibitors of the Ribosomal Oxygenase MINA53.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha inhibitor, Lysine-specific demethylase 2A, Lysine-specific demethylase 3B, Lysine-specific demethylase 4A, Lysine-specific demethylase 4D, Lysine-specific demethylase 5B, and Lysine-specific demethylase 6B, Uniprot O15054, O75164, Q6B0I6, Q7LBC6, Q9NWT6, Q9UGL1, and Q9Y2K7
DOI: 10.7270/q2bz69xg
title: BindingDB Entry 50014847: Macrocyclic Inhibitors of HGF-Activating Serine Proteases Overcome Resistance to Receptor Tyrosine Kinase Inhibitors and Block Lung Cancer Progression.

description: Small molecule binding data for protein Coagulation factor X, Hepatocyte growth factor activator, Prothrombin, Serine protease hepsin, and Suppressor of tumorigenicity 14 protein, Uniprot P00734, P00742, P05981, Q04756, and Q9Y5Y6
DOI: 10.7270/q2765k6g
title: BindingDB Entry 50014850: Cyclic ADP Ribose Hydrolase (CD38) Inhibitors.

description: Small molecule binding data for protein ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Uniprot P28907
DOI: 10.7270/q23f4th6
title: BindingDB Entry 50014852: Factor XI Activation Inhibitors for Treating Thrombosis, Embolisms, Hypercoagulability, and Fibrotic Changes.

description: Small molecule binding data for protein Coagulation factor XI, Uniprot P03951
DOI: 10.7270/q2zp49z0
title: BindingDB Entry 50014853: Selective Discovery of GPCR Ligands within DNA-Encoded Chemical Libraries Derived from Natural Products: A Case Study on Antagonists of Angiotensin II Type I Receptor.

description: Small molecule binding data for protein Type-1 angiotensin II receptor, Uniprot P30556
DOI: 10.7270/q2tx3k7p
title: BindingDB Entry 50014855: Neuroactive Type-A γ-Aminobutyric Acid Receptor Allosteric Modulator Steroids from the Hypobranchial Gland of Marine Mollusk,

description: Small molecule binding data for protein GABA A receptor alpha-1/beta-1/gamma-2, GABA A receptor alpha-4/beta-3/gamma-2, GABA-A receptor; alpha-2/beta-3/gamma-2, GABA-A receptor; alpha-5/beta-3/gamma-2, Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2, and Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2, Uniprot P14867, P18505, P18507, P28472, P31644, P34903, P47869, and P48169
DOI: 10.7270/q2q81hxk
title: BindingDB Entry 50014860: Synthesis and Evaluation of PPARδ Agonists That Promote Osteogenesis in a Human Mesenchymal Stem Cell Culture and in a Mouse Model of Human Osteoporosis.

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/q2kh0s68
title: BindingDB Entry 50014861: Novel Mixed NOP/Opioid Receptor Peptide Agonists.

description: Small molecule binding data for protein Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41145, and P41146
DOI: 10.7270/q2fr01gx
title: BindingDB Entry 50014864: Discovery of Novel Tacrine-Pyrimidone Hybrids as Potent Dual AChE/GSK-3 Inhibitors for the Treatment of Alzheimer's Disease.

description: Small molecule binding data for protein Acetylcholinesterase and Glycogen synthase kinase-3 beta, Uniprot P21836 and P49841
DOI: 10.7270/q29z98rn
title: BindingDB Entry 50014865: Dynamics-Based Discovery of Novel, Potent Benzoic Acid Derivatives as Orally Bioavailable Selective Estrogen Receptor Degraders for ERα+ Breast Cancer.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Estrogen receptor, and Potassium voltage-gated channel subfamily H member 2, Uniprot P03372, P05177, P08684, P10632, P10635, P11712, P20813, P33261, and Q12809
DOI: 10.7270/q2668j1n
title: BindingDB Entry 50014866: Rational Alteration of Pharmacokinetics of Chiral Fluorinated and Deuterated Derivatives of Emixustat for Retinal Therapy.

description: Small molecule binding data for protein Retinoid isomerohydrolase, Uniprot Q28175
DOI: 10.7270/q22f7s8g
title: BindingDB Entry 50014869: Adenosine A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, Adenosine receptor A3, Amine oxidase [flavin-containing] B, D(1B) dopamine receptor, D(2) dopamine receptor, D(3) dopamine receptor, Histamine H1 receptor, Histamine H3 receptor, and Histamine H4 receptor, Uniprot P0DMS8, P14416, P21918, P27338, P29274, P29275, P30542, P35367, P35462, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2xp78s5
title: BindingDB Entry 50014870: Syntheses, Biological Evaluations, and Mechanistic Studies of Benzo[

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2 and Programmed cell death 1 ligand/protein 1, Uniprot Q12809, Q15116, and Q9NZQ7
DOI: 10.7270/q2t157hx
title: BindingDB Entry 50014871: Propranolol Activates the Orphan Nuclear Receptor TLX to Counteract Proliferation and Migration of Glioblastoma Cells.

description: Small molecule binding data for protein Nuclear receptor subfamily 2 group E member 1, Uniprot Q9Y466
DOI: 10.7270/q2p84gs6
title: BindingDB Entry 50014873: Discovery and Optimization of a Novel 2

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, and Potassium voltage-gated channel subfamily H member 2, Uniprot P11362, P21802, P22455, P22607, and Q12809
DOI: 10.7270/q2jh3r2w
title: BindingDB Entry 50014874: Design, Synthesis, and Activity Evaluation of Stereoconfigured Tartarate Derivatives as Potential Anti-inflammatory Agents

description: Small molecule binding data for protein Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2, Uniprot P05979 and P35354
DOI: 10.7270/q2dr30c0
title: BindingDB Entry 50014876: Identification of Transthyretin Tetramer Kinetic Stabilizers That Are Capable of Inhibiting the Retinol-Dependent Retinol Binding Protein 4-Transthyretin Interaction: Potential Novel Therapeutics for Macular Degeneration, Transthyretin Amyloidosis, and Their Common Age-Related Comorbidities.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor gamma, Potassium voltage-gated channel subfamily H member 2, Retinol-binding protein 4, and Transthyretin, Uniprot P02753, P02766, P37231, and Q12809
DOI: 10.7270/q29027nk
title: BindingDB Entry 50014880: Selective Pseudo-irreversible Butyrylcholinesterase Inhibitors Transferring Antioxidant Moieties to the Enzyme Show Pronounced Neuroprotective Efficacy In Vitro and In Vivo in an Alzheimer's Disease Mouse Model.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2571gvz
title: BindingDB Entry 50014882: Synthesis of Fluorescent Probes Targeting Tumor-Suppressor Protein FHIT and Identification of Apoptosis-Inducing FHIT Inhibitors.

description: Small molecule binding data for protein Bis(5'-adenosyl)-triphosphatase, Uniprot P49789
DOI: 10.7270/q21g0r4n
title: BindingDB Entry 50014883: Design of a Stable Cyclic Peptide Analgesic Derived from Sunflower Seeds that Targets the κ-Opioid Receptor for the Treatment of Chronic Abdominal Pain.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P32300, P33534, and P42866
DOI: 10.7270/q2ws8z3k
title: BindingDB Entry 50014885: Identification of Novel Fused Heteroaromatics-Based MALT1 Inhibitors by High-Throughput Screening to Treat B Cell Lymphoma.

description: Small molecule binding data for protein Mucosa-associated lymphoid tissue lymphoma translocation protein 1, Uniprot Q9UDY8
DOI: 10.7270/q2s186cj
title: BindingDB Entry 50014886: Improving Druggability of Novel Diarylpyrimidine NNRTIs by a Fragment-Based Replacement Strategy: From Biphenyl-DAPYs to Heteroaromatic-Biphenyl-DAPYs.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Reverse transcriptase/RNaseH, Uniprot P05177, P08684, P10635, P11712, P33261, and Q72547
DOI: 10.7270/q2n87fnt
title: BindingDB Entry 50014889: A Photohormone for Light-Dependent Control of PPARα in Live Cells.

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/q2hh6px3
title: BindingDB Entry 50014890: Propionamide Derivatives as Dual μ-Opioid Receptor Agonists and σ

description: Small molecule binding data for protein Mu-type opioid receptor, Potassium voltage-gated channel subfamily H member 2, and Sigma non-opioid intracellular receptor 1, Uniprot P35372, Q12809, and Q99720
DOI: 10.7270/q2cr5z6s
title: BindingDB Entry 50014892: Synthesis and structural characterization of a monocarboxylic inhibitor for GRB2 SH2 domain.

description: Small molecule binding data for protein Growth factor receptor-bound protein 2, Uniprot P62993
DOI: 10.7270/q28056gr
title: BindingDB Entry 50014893: Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.

description: Small molecule binding data for protein Transcriptional enhancer factor TEF-3 and Transcriptional enhancer factor TEF-4, Uniprot Q15561 and Q15562
DOI: 10.7270/q2474fr1
title: BindingDB Entry 50014894: Low-Valent Calix[4]arene Glycoconjugates Based on Hydroxamic Acid Bearing Linkers as Potent Inhibitors in a Model of Ebola Virus Cis-Infection and HCMV-gB-Recombinant Glycoprotein Interaction with MDDC Cells by Blocking DC-SIGN.

description: Small molecule binding data for protein C-type lectin domain family 4 member M, Uniprot Q9H2X3
DOI: 10.7270/q20k2ddk
title: BindingDB Entry 50014895: Design, synthesis and anti-tumor evaluation of 1,2,4-triazol-3-one derivatives and pyridazinone derivatives as novel CXCR2 antagonists.

description: Small molecule binding data for protein C-X-C chemokine receptor type 2, Uniprot P25025
DOI: 10.7270/q2vt1wzb
title: BindingDB Entry 50014897: N-2-(phenylamino) benzamide derivatives as novel anti-glioblastoma agents: Synthesis and biological evaluation.

description: Small molecule binding data for protein DNA topoisomerase 1 and Prostaglandin G/H synthase 2, Uniprot P11387 and P35354
DOI: 10.7270/q2r2157q
title: BindingDB Entry 50014900: Discovery of thiazolidin-4-one analogue as selective GSK-3β inhibitor through structure based virtual screening.

description: Small molecule binding data for protein Casein kinase I delta/epsilon, Cyclin-dependent kinase 5, Cyclin-dependent kinase 9, Dual specificity protein kinase CLK1, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Glycogen synthase kinase-3 beta, Serine/threonine-protein kinase haspin, and Serine/threonine-protein kinase pim-1, Uniprot P11309, P48730, P49674, P49759, P49841, P50750, Q00535, Q13627, and Q8TF76
DOI: 10.7270/q2m90dh0
title: BindingDB Entry 50014901: Discovery of novel IDO1 inhibitors targeting the protein's apo form through scaffold hopping from holo-IDO1 inhibitor.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2gh9nsq
title: BindingDB Entry 50014902: N-(4-acetamidophenyl)-5-acetylfuran-2-carboxamide as a novel orally available diuretic that targets urea transporters with improved PD and PK properties.

description: Small molecule binding data for protein Urea transporter 1, Uniprot P97689 and Q8VHL0
DOI: 10.7270/q2br8x1z
title: BindingDB Entry 50014903: Development of novel tetrahydroisoquinoline-hydroxamate conjugates as potent dual SERDs/HDAC inhibitors for the treatment of breast cancer.

description: Small molecule binding data for protein Estrogen receptor, Histone deacetylase 1, Histone deacetylase 4, and Histone deacetylase 6, Uniprot P03372, P56524, Q13547, and Q9UBN7
DOI: 10.7270/q270859x
title: BindingDB Entry 50014904: Discovery of Benzocyclic Sulfone Derivatives as Potent CXCR2 Antagonists for Cancer Immunotherapy.

description: Small molecule binding data for protein C-X-C chemokine receptor type 2, Uniprot P25025