cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q24m98kd
title: BindingDB Entry 50017025: Novel 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/q28d019p
title: BindingDB Entry 50017024: Discovery of Substituted Di(pyridin-2-yl)-1,2,4-thiadiazol-5-amines as Novel Macrofilaricidal Compounds for the Treatment of Human Filarial Infections.

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 Potassium voltage-gated channel subfamily H member 2, Uniprot P05177, P08684, P10632, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q2d50s0k
title: BindingDB Entry 50017020: A Warhead Substitution Study on the Coronavirus Main Protease Inhibitor Nirmatrelvir.

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0C6X1 and P0DTD1
DOI: 10.7270/q2hx1hp4
title: BindingDB Entry 50017019: -Benzyl Benzamide Derivatives as Selective Sub-Nanomolar Butyrylcholinesterase Inhibitors for Possible Treatment in Advanced Alzheimer's Disease.

description: Small molecule binding data for protein Cholinesterase, Uniprot P06276 and P81908
DOI: 10.7270/q2nk3k3w
title: BindingDB Entry 50017017: Construction of Covalent Bisubstrate Inhibitor of Protein Kinase Reacting with Cysteine Residue at Substrate-Binding Site.

description: Small molecule binding data for protein cAMP-dependent protein kinase catalytic subunit alpha, Uniprot P17612
DOI: 10.7270/q2sb49sr
title: BindingDB Entry 50017015: Improving Drug Delivery While Tailoring Prodrug Activation to Modulate

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2 and UDP-glucuronosyltransferase 1A1, Uniprot P22309 and Q12809
DOI: 10.7270/q2x352g1
title: BindingDB Entry 50017011: Nostosin G and Spiroidesin B from the Cyanobacterium

description: Small molecule binding data for protein Trypsin, Uniprot P07477, P07478, and P35030
DOI: 10.7270/q21v5k0g
title: BindingDB Entry 50017008: Investigating the Structure-Activity Relationship of 1,2,4-Triazine G-Protein-Coupled Receptor 84 (GPR84) Antagonists.

description: Small molecule binding data for protein G-protein coupled receptor 84, Uniprot Q9NQS5
DOI: 10.7270/q25m69r7
title: BindingDB Entry 50017006: Designing Novel BCR-ABL Inhibitors for Chronic Myeloid Leukemia with Improved Cardiac Safety.

description: Small molecule binding data for protein Tyrosine-protein kinase ABL1, Uniprot P00519
DOI: 10.7270/q29c72gz
title: BindingDB Entry 50017005: Rational Design and Optimization of m

description: Small molecule binding data for protein Alpha-ketoglutarate-dependent dioxygenase FTO and RNA demethylase ALKBH5, Uniprot Q6P6C2 and Q9C0B1
DOI: 10.7270/q2f47t5v
title: BindingDB Entry 50017001: Iterative Optimization and Structure-Activity Relationship Studies of Oseltamivir Amino Derivatives as Potent and Selective Neuraminidase Inhibitors

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Integrase, and Neuraminidase, Uniprot P03468, P05177, P08684, P10635, P11712, P33261, and Q7ZJM1
DOI: 10.7270/q2js9vh0
title: BindingDB Entry 50017000: Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2pk0m6t
title: BindingDB Entry 50016996: Discovery of 1-(Hetero)aryl-β-carboline Derivatives as IDO1/TDO Dual Inhibitors with Antidepressant Activity.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1 and Tryptophan 2,3-dioxygenase, Uniprot P14902 and P48775
DOI: 10.7270/q2tb1bx4
title: BindingDB Entry 50016994: GNE-064: A Potent, Selective, and Orally Bioavailable Chemical Probe for the Bromodomains of SMARCA2 and SMARCA4 and the Fifth Bromodomain of PBRM1.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Probable global transcription activator SNF2L2, Protein polybromo-1, and Transcription activator BRG1, Uniprot O60885, P05177, P08684, P10632, P10635, P11712, P33261, P51531, P51532, and Q86U86
DOI: 10.7270/q2z323p9
title: BindingDB Entry 50016993: Design and Validation of the First Family of Photo-Activatable Ligands for Melatonin Receptors.

description: Small molecule binding data for protein Melatonin receptor type 1A and Melatonin receptor type 1B, Uniprot P48039 and P49286
DOI: 10.7270/q22v2m59
title: BindingDB Entry 50016990: Discovery of a Novel Vascular Disrupting Agent Inhibiting Tubulin Polymerization and HDACs with Potent Antitumor Effects.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 6, and Histone deacetylase 8, Uniprot O15379, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q26m3bwm
title: BindingDB Entry 50016989: -Heterocyclic 3-Pyridyl Carboxamide Inhibitors of DHODH for the Treatment of Acute Myelogenous Leukemia.

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, Dihydroorotate dehydrogenase (quinone), mitochondrial, and Potassium voltage-gated channel subfamily H member 2, Uniprot O35435, P05177, P08684, P10632, P10635, P11712, P33261, Q02127, Q12809, and Q63707
DOI: 10.7270/q2bc43kw
title: BindingDB Entry 50016986: Discovery of Novel 7-Hydroxy-5-oxo-4,5-dihydrothieno[3,2-

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2, Uniprot Q12809
DOI: 10.7270/q2g164vf
title: BindingDB Entry 50016985: Structure-Based Design of Xanthine-Benzimidazole Derivatives as Novel and Potent Tryptophan Hydroxylase Inhibitors.

description: Small molecule binding data for protein Tryptophan 5-hydroxylase 1 and Tryptophan 5-hydroxylase 2, Uniprot P17752 and Q8IWU9
DOI: 10.7270/q2ks6wj1
title: BindingDB Entry 50016984: Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides.

description: Small molecule binding data for protein Indolethylamine N-methyltransferase and Nicotinamide N-methyltransferase, Uniprot O95050 and P40261
DOI: 10.7270/q2qj7n96
title: BindingDB Entry 50016980: Is a Highly Selective and Potent κ Opioid Receptor (KOR) Agonist with an Unexpected Nonreduction in Locomotor Activity.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P33533, P33535, and P41145
DOI: 10.7270/q2v98d3t
title: BindingDB Entry 50016979: Discovery of a First-in-Class Degrader for Nuclear Receptor Binding SET Domain Protein 2 (NSD2) and Ikaros/Aiolos.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase NSD2, Uniprot O96028
DOI: 10.7270/q2028wkq
title: BindingDB Entry 50016978: Discovery of an Orally Bioavailable and Selective PKMYT1 Inhibitor, RP-6306.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Ephrin type-B receptor 3, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, Potassium voltage-gated channel subfamily H member 2, and Wee1-like protein kinase, Uniprot P08684, P10635, P11712, P30291, P54753, Q12809, and Q99640
DOI: 10.7270/q23t9n8p
title: BindingDB Entry 50016975: Optimization and Mechanistic Investigations of Novel Allosteric Activators of PKG1α.

description: Small molecule binding data for protein cGMP-dependent protein kinase 1, Uniprot Q13976
DOI: 10.7270/q27m0cz3
title: BindingDB Entry 50016971: -2-(Phenylamino) Benzamide Derivatives as Dual Inhibitors of COX-2 and Topo I Deter Gastrointestinal Cancers via Targeting Inflammation and Tumor Progression.

description: Small molecule binding data for protein Cytochrome c oxidase subunit 2 and DNA topoisomerase 1, Uniprot P00403 and P11387
DOI: 10.7270/q2c82fbd
title: BindingDB Entry 50016969: Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.

description: Small molecule binding data for protein Coagulation factor X, Coagulation factor XI, Plasma kallikrein, Potassium voltage-gated channel subfamily H member 2, and Prothrombin, Uniprot P00734, P00742, P03951, P03952, and Q12809
DOI: 10.7270/q2h1361p
title: BindingDB Entry 50016967: Discovery of Hexahydrofuro[3,2-

description: Small molecule binding data for protein Cyclin-Y/Cyclin-dependent kinase 16, NUAK family SNF1-like kinase 1, Non-receptor tyrosine-protein kinase TYK2, Receptor-type tyrosine-protein kinase FLT3 [K633Q], Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60285, O60674, P23458, P29597, P36888, P52333, Q00536, and Q8ND76
DOI: 10.7270/q2ms3xsr
title: BindingDB Entry 50016963: Spiro-naphthyridine Antagonists of the Melanocortin Receptor 4 for the Treatment of Cachexia Associated with Chronic Illness.

description: Small molecule binding data for protein Melanocortin receptor 4, Uniprot P32245
DOI: 10.7270/q2rj4phg
title: BindingDB Entry 50016962: Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2w95f76
title: BindingDB Entry 50016959: Recent Advances with KDM4 Inhibitors and Potential Applications.

description: Small molecule binding data for protein Lysine-specific demethylase 2A, Lysine-specific demethylase 4A, Lysine-specific demethylase 4B, Lysine-specific demethylase 4C, Lysine-specific demethylase 4D, Lysine-specific demethylase 4E, Lysine-specific demethylase 5A, Lysine-specific demethylase 5B, Lysine-specific demethylase 5C, Lysine-specific demethylase 5D, and Lysine-specific demethylase 6B, Uniprot B2RXH2, O15054, O75164, O94953, P29375, P41229, Q6B0I6, Q9BY66, Q9H3R0, Q9UGL1, and Q9Y2K7
DOI: 10.7270/q2125xq3
title: BindingDB Entry 50016958: Therapeutic Potential and Activity Modulation of the Protein Lysine Deacylase Sirtuin 5.

description: Small molecule binding data for protein NAD-dependent protein deacetylase sirtuin-1, NAD-dependent protein deacetylase sirtuin-2, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, NAD-dependent protein deacylase sirtuin-5, mitochondrial, NAD-dependent protein deacylase sirtuin-6, and RAF proto-oncogene serine/threonine-protein kinase, Uniprot P04049, Q8IXJ6, Q8N6T7, Q96EB6, Q9NTG7, and Q9NXA8
DOI: 10.7270/q24t6pd2
title: BindingDB Entry 50016957: Medicinal Chemistry and Chemical Biology of Nurr1 Modulators: An Emerging Strategy in Neurodegeneration.

description: Small molecule binding data for protein Nuclear receptor subfamily 4 group A member 2, Uniprot P43354, Q06219, and Q07917
DOI: 10.7270/q28g8qrh
title: BindingDB Entry 50016955: Overview of Methionine Adenosyltransferase 2A (MAT2A) as an Anticancer Target: Structure, Function, and Inhibitors.

description: Small molecule binding data for protein S-adenosylmethionine synthase isoform type-2, Uniprot P31153
DOI: 10.7270/q2d79gfs
title: BindingDB Entry 50016954: Glioblastoma: Current Status, Emerging Targets, and Recent Advances.

description: Small molecule binding data for protein Translocator protein, Uniprot P30536
DOI: 10.7270/q2j1076h
title: BindingDB Entry 50016950: Therapeutic Strategies to Target the Androgen Receptor.

description: Small molecule binding data for protein Androgen receptor, Uniprot P10275, P15207, and P19091
DOI: 10.7270/q2ns0zzk
title: BindingDB Entry 50016948: Small Carbohydrate Derivatives as Potent Antibiofilm Agents.

description: Small molecule binding data for protein Fucose-binding lectin PA-IIL, Lectin A, PA-I galactophilic lectin, Sortase, Sortase family protein, and Type 1 fimbrin D-mannose specific adhesin, Uniprot P08191, Q05097, Q7N561, Q8CM62, Q9HYN5, and Q9S446
DOI: 10.7270/q2sj1qp9
title: BindingDB Entry 50016944: : A Prolific Source of Bioactive Secondary Metabolites with Therapeutic Potential.

description: Small molecule binding data for protein Maltase-glucoamylase, Uniprot O43451
DOI: 10.7270/q2x92gck
title: BindingDB Entry 50016943: Near-Infrared Fluorescent Probes as Imaging and Theranostic Modalities for Amyloid-Beta and Tau Aggregates in Alzheimer's Disease.

description: Small molecule binding data for protein Albumin and Amyloid-beta precursor protein, Uniprot P02769 and P05067
DOI: 10.7270/q2222zt1
title: BindingDB Entry 50016942: Evolutionary and Structural Insights about Potential SARS-CoV-2 Evasion of Nirmatrelvir.

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q25q514h
title: BindingDB Entry 50016941: Design, synthesis and biological evaluation of novel osimertinib derivatives as reversible EGFR kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Hepatocyte growth factor receptor, Uniprot P00533 and P08581
DOI: 10.7270/q29g5rt0
title: BindingDB Entry 50016940: Hematopoietic Progenitor Kinase 1 in Tumor Immunology: A Medicinal Chemistry Perspective.

description: Small molecule binding data for protein Interleukin-2, Mitogen-activated protein kinase kinase kinase kinase 1, Receptor-type tyrosine-protein kinase FLT3 [K633Q], Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase Lck, and Tyrosine-protein kinase ZAP-70, Uniprot P06239, P36888, P43403, P60568, Q08881, and Q92918
DOI: 10.7270/q2f76hk5
title: BindingDB Entry 50016938: Discovery of a Novel Small-Molecule Inhibitor Disrupting TRBP-Dicer Interaction against Hepatocellular Carcinoma via the Modulation of microRNA Biogenesis.

description: Small molecule binding data for protein Programmed cell death protein 4 and RISC-loading complex subunit TARBP2, Uniprot Q15633 and Q53EL6
DOI: 10.7270/q2k0789w
title: BindingDB Entry 50016937: Discovery of novel 2,3-dihydro-1H-inden-1-ones as dual PDE4/AChE inhibitors with more potency against neuroinflammation for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, 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-specific 3',5'-cyclic phosphodiesterase 4D, cGMP-dependent 3',5'-cyclic phosphodiesterase, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O42275, O60658, O76074, O76083, P54750, P81908, Q08499, Q13370, and Q13946
DOI: 10.7270/q2pr8119
title: BindingDB Entry 50016936: Discovery of 2-(furan-2-ylmethylene)hydrazine-1-carbothioamide derivatives as novel inhibitors of SARS-CoV-2 main protease.

description: Small molecule binding data for protein Procathepsin L and Replicase polyprotein 1ab, Uniprot P07711 and P0DTD1
DOI: 10.7270/q2th8rr7
title: BindingDB Entry 50016932: Expansion of the S-CN-DABO scaffold to exploit the impact on inhibitory activities against the non-nucleoside HIV-1 reverse transcriptase.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Potassium voltage-gated channel subfamily H member 2, and Reverse transcriptase/RNaseH, Uniprot P05177, P08684, P10635, P11712, P33261, Q12809, and Q72547
DOI: 10.7270/q2z89hfh
title: BindingDB Entry 50016924: trans, trans-2-C-Aryl-3,4-dihydroxypyrrolidines as potent and selective β-glucosidase inhibitors: Pharmacological chaperones for Gaucher disease.

description: Small molecule binding data for protein Alpha-mannosidase, Lysosomal acid glucosylceramidase, Lysosomal alpha-glucosidase, Maltase-glucoamylase, and Sucrase-isomaltase, intestinal, Uniprot C0HJB3, O43451, P04062, P23739, and Q6P7A9
DOI: 10.7270/q22z19km
title: BindingDB Entry 50016916: Tetrahydropyridin-4-ylpicolinoylglycines as novel and orally active prolyl hydroxylase 2 (PHD2) inhibitors for the treatment of renal anemia.

description: Small molecule binding data for protein Egl nine homolog 1, Uniprot Q9GZT9
DOI: 10.7270/q26q228w
title: BindingDB Entry 50016915: Identification of non-ATP-competitive α-carboline inhibitors of the anaplastic lymphoma kinase.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Uniprot Q9UM73
DOI: 10.7270/q2bg2t1p
title: BindingDB Entry 50016914: Therapeutic potentials and structure-activity relationship of 1,3-benzodioxole N-carbamothioyl carboxamide derivatives as selective and potent antagonists of P2X4 and P2X7 receptors.

description: Small molecule binding data for protein P2X purinoceptor 2, P2X purinoceptor 4, P2X purinoceptor 5, and P2X purinoceptor 7, Uniprot Q93086, Q99571, Q99572, and Q9UBL9
DOI: 10.7270/q2g73jsf
title: BindingDB Entry 50016911: Novel quinoline-based derivatives: A new class of PDE4B inhibitors for adjuvant-induced arthritis.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2m049h5
title: BindingDB Entry 50016910: Phage Display Selected Cyclic Peptide Inhibitors of Kallikrein-Related Peptidases 5 and 7 and Their

description: Small molecule binding data for protein Albumin, Kallikrein 1-related peptidase b5, Kallikrein-5, and Kallikrein-7, Uniprot P02768, P07724, P15945, P49862, Q91VE3, and Q9Y337
DOI: 10.7270/q2qr525p
title: BindingDB Entry 50016909: Design and synthesis of highly TRAIL expression HDAC inhibitors based on ONC201 to promote apoptosis of colorectal cancer.

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, and Histone deacetylase 8, Uniprot O15379, P56524, Q13547, Q92769, Q96DB2, Q9BY41, and Q9Y618
DOI: 10.7270/q2vh5sv5
title: BindingDB Entry 50016907: A novel series of teriflunomide derivatives as orally active inhibitors of human dihydroorotate dehydrogenase for the treatment of colorectal carcinoma.

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot Q02127
DOI: 10.7270/q2057m0f
title: BindingDB Entry 50016905: Chemical space exploration around indolylarylsulfone scaffold led to a novel class of highly active HIV-1 NNRTIs with spiro structural features.

description: Small molecule binding data for protein Reverse transcriptase/RNaseH, Uniprot Q72547
DOI: 10.7270/q23x8bp0
title: BindingDB Entry 50016904: Development of sulfonamide-based NLRP3 inhibitors: Further modifications and optimization through structure-activity relationship studies.

description: Small molecule binding data for protein Interferon-inducible protein AIM2, NACHT, LRR and PYD domains-containing protein 3, and NLR family CARD domain-containing protein 4, Uniprot Q3UP24, Q8R4B8, Q91VJ1, and Q96P20
DOI: 10.7270/q27p93f5
title: BindingDB Entry 50016903: Design, synthesis of DNA-interactive 4-thiazolidinone-based indolo-/pyrroloazepinone conjugates as potential cytotoxic and topoisomerase I inhibitors.

description: Small molecule binding data for protein DNA topoisomerase 1, Uniprot P11387
DOI: 10.7270/q2cf9v5h
title: BindingDB Entry 50016900: The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q2h70kwc
title: BindingDB Entry 50016899: Progress and Challenges in Targeting the SARS-CoV-2 Papain-like Protease.

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q2n01bkn
title: BindingDB Entry 50016898: Discovery of quinazoline derivatives CZw-124 as a pan-TRK inhibitor with potent anticancer effects in vitro and in vivo.

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, High affinity nerve growth factor receptor, and NT-3 growth factor receptor, Uniprot P04629, P05177, P08684, P10635, P11712, P33261, Q16288, and Q16620
DOI: 10.7270/q2rr238m
title: BindingDB Entry 50016897: Tuberculosis Drug Discovery: Challenges and New Horizons.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 3A4, Decaprenylphosphoryl-beta-D-ribose oxidase, Enoyl-[acyl-carrier-protein] reductase [NADH], O43924/P16499/P18545/P35913/P51160/Q13956, Polyketide synthase Pks13, and Potassium voltage-gated channel subfamily H member 2, Uniprot A0R607, I6X8D2, O43924, P05177, P08684, P11712, P16499, P18545, P33261, P35913, P51160, P9WGR1, Q12809, and Q13956
DOI: 10.7270/q2wd44m2
title: BindingDB Entry 50016889: Discovery of novel coumarin-indole derivatives as tubulin polymerization inhibitors with potent anti-gastric cancer activities.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2154n2x
title: BindingDB Entry 50016886: Discovery of 2H-benzo[b][1,4]oxazin-3(4H)-one derivatives as potent and selective CDK9 inhibitors that enable transient target engagement for the treatment of hematologic malignancies.

description: Small molecule binding data for protein Cyclin-C, Cyclin-H/Cyclin-dependent kinase 7, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 12, Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, and Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1, Uniprot O60563, P06493, P11802, P14635, P24863, P30281, P50613, P50750, P51946, and Q9NYV4
DOI: 10.7270/q24x5ctc
title: BindingDB Entry 50016880: Electrostatic Complementarity in Structure-Based Drug Design.

description: Small molecule binding data for protein Cathepsin K, Cathepsin S, Coagulation factor X, E3 ubiquitin-protein ligase XIAP, and Procathepsin L, Uniprot P00742, P07711, P25774, P43235, and P98170
DOI: 10.7270/q28p64kj
title: BindingDB Entry 50016879: Identification of NVP-CLR457 as an Orally Bioavailable Non-CNS-Penetrant pan-Class IA Phosphoinositol-3-Kinase Inhibitor.

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, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, and Serine/threonine-protein kinase mTOR, Uniprot A0A0G2K344, O00329, P42336, P42338, P42345, P48736, Q9JLN9, and Q9Z1L0
DOI: 10.7270/q2df6w8f
title: BindingDB Entry 50016875: Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.

description: Small molecule binding data for protein Histone-arginine methyltransferase CARM1, Protein arginine N-methyltransferase 1, Protein arginine N-methyltransferase 3, Protein arginine N-methyltransferase 5, Protein arginine N-methyltransferase 6, Protein arginine N-methyltransferase 7, and Protein arginine N-methyltransferase 8, Uniprot O14744, O60678, Q86X55, Q96LA8, Q99873, Q9NR22, and Q9NVM4