cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2mp574p
title: BindingDB Entry 50014725: Indirubin Derivatives as Dual Inhibitors Targeting Cyclin-Dependent Kinase and Histone Deacetylase for Treating Cancer.

description: Small molecule binding data for protein Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, Cyclin-dependent kinase 6/G1/S-specific cyclin-D3, 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, NAD-dependent protein deacetylase sirtuin-2, and NAD-dependent protein deacylase sirtuin-5, mitochondrial, Uniprot O15379, P11802, P20248, P24941, P30281, P56524, Q00534, Q13547, Q8IXJ6, Q8WUI4, Q92769, Q96DB2, Q9BY41, Q9NXA8, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2ms3wsb
title: BindingDB Entry 9103: Substituted pyrimidines for preventing or treating cancer and inflammatory diseases

description: Small molecule binding data for protein Serine/threonine-protein kinase 17A and Serine/threonine-protein kinase 17B, Uniprot O94768 and Q9UEE5
DOI: 10.7270/q2ms3wts
title: BindingDB Entry 9490: Benzenesulfonamide compounds and their use as therapeutic agents

description: Small molecule binding data for protein Sodium channel protein type 1 subunit alpha, Sodium channel protein type 5 subunit alpha, and Sodium channel protein type 8 subunit alpha, Uniprot P35498, Q14524, and Q9UQD0
DOI: 10.7270/q2ms3wv7
title: BindingDB Entry 9877: Open Science Discovery of Oral Non-Covalent SARS-CoV-2 Main Protease Inhibitor Therapeutics

description: Small molecule binding data for protein Replicase polyprotein 1ab and Serine protease 1, Uniprot P07477 and P0DTD1
DOI: 10.7270/q2ms3wwp
title: BindingDB Entry 10086: Alkoxy bis-heteroaryl derivatives as modulators of protein aggregation

description: Small molecule binding data for protein Alpha-synuclein, Uniprot P37840
DOI: 10.7270/q2ms3wx4
title: BindingDB Entry 10264: Macrocycles as factor XIA inhibitors

description: Small molecule binding data for protein Coagulation factor XI, Uniprot P03951
DOI: 10.7270/q2ms3wzk
title: BindingDB Entry 10473: 3-hydroxy-quinazoline-2,4-dione derivatives and their use as nuclease modulators

description: Small molecule binding data for protein Flap endonuclease 1, Uniprot P39748
DOI: 10.7270/q2ms3x0f
title: BindingDB Entry 10860: Substituted pyrrolo[2,3-d]pyrimidines as JAK inhibitors

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q2ms3x1w
title: BindingDB Entry 50007124: Novel Benzazole Derivatives Endowed with Potent Antiheparanase Activity.

description: Small molecule binding data for protein Heparanase, Uniprot Q9Y251
DOI: 10.7270/q2ms3x2b
title: BindingDB Entry 50007741: PIM kinase inhibitors: Structural and pharmacological perspectives.

description: Small molecule binding data for protein Serine/threonine-protein kinase pim-1, Uniprot P11309
DOI: 10.7270/q2ms3x3s
title: BindingDB Entry 50008338: Highly Potent and Selective Plasmin Inhibitors Based on the Sunflower Trypsin Inhibitor-1 Scaffold Attenuate Fibrinolysis in Plasma.

description: Small molecule binding data for protein Cathepsin G, Coagulation factor IX, Coagulation factor X, Coagulation factor XI, Coagulation factor XII, Plasma kallikrein, Plasminogen, Prothrombin, Serine protease 1, Suppressor of tumorigenicity 14 protein, Tissue-type plasminogen activator, and Urokinase-type plasminogen activator, Uniprot P00734, P00740, P00742, P00747, P00748, P00749, P00750, P00760, P03951, P03952, P08311, and Q9Y5Y6
DOI: 10.7270/q2ms3x47
title: BindingDB Entry 50008700: Advancement of multi-target drug discoveries and promising applications in the field of Alzheimer's disease.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 4, Acetylcholinesterase, Amyloid-beta precursor protein, Beta-secretase 1, Cholinesterase, Glutamate receptor ionotropic, NMDA 2A, Glycogen synthase kinase-3 beta, and Microtubule-associated protein tau, Uniprot P05067, P06276, P10636, P22303, P49841, P56817, Q12879, and Q13639
DOI: 10.7270/q2ms3x5p
title: BindingDB Entry 50008991: High affinity CXCR4 inhibitors generated by linking low affinity peptides.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4, Uniprot P61073
DOI: 10.7270/q2ms3x64
title: BindingDB Entry 50009332: Discovery and Development of Small-Molecule Inhibitors of Glycogen Synthase.

description: Small molecule binding data for protein Glycogen [starch] synthase, muscle, Uniprot P13807
DOI: 10.7270/q2ms3x7k
title: BindingDB Entry 50009947: Discovery of N-((1-(4-(3-(3-((6,7-Dimethoxyquinolin-3-yl)oxy)phenyl)ureido)-2-(trifluoromethyl)phenyl)piperidin-4-yl)methyl)propionamide (CHMFL-KIT-8140) as a Highly Potent Type II Inhibitor Capable of Inhibiting the T670I "Gatekeeper" Mutant of cKIT Kinase.

description: Small molecule binding data for protein Mast/stem cell growth factor receptor Kit, Uniprot P10721
DOI: 10.7270/q2ms3x81
title: BindingDB Entry 50010505: Diterpenoids from the Root Bark of

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q08499
DOI: 10.7270/q2ms3x9g
title: BindingDB Entry 50011137: One-pot synthesis of thioxo-tetrahydropyrimidine derivatives as potent β-glucuronidase inhibitor, biological evaluation, molecular docking and molecular dynamics studies.

description: Small molecule binding data for protein Beta-glucuronidase, Uniprot P08236
DOI: 10.7270/q2ms3xbx
title: BindingDB Entry 50011486: Novel Tricyclic Pyroglutamide Derivatives as Potent RORγt Inverse Agonists Identified using a Virtual Screening Approach.

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/q2ms3xcc
title: BindingDB Entry 50011765: Thiazolidine-2,4-dione-based irreversible allosteric IKK-β kinase inhibitors: Optimization into in vivo active anti-inflammatory agents.

description: Small molecule binding data for protein Inhibitor of nuclear factor kappa-B kinase subunit beta, Uniprot O14920
DOI: 10.7270/q2ms3xdt
title: BindingDB Entry 50012108: Design, syntheses and evaluations of novel indole derivatives as orally selective estrogen receptor degraders (SERD).

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and Estrogen receptor, Uniprot P03372 and P40989
DOI: 10.7270/q2ms3xf8
title: BindingDB Entry 50012383: Structure-Activity Relationship and Biological Investigation of SR18292 (

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Beta-1 adrenergic receptor, and Beta-2 adrenergic receptor, Uniprot P07550, P08588, and P08908
DOI: 10.5281/zenodo.7677216
title: mesocentrotus_franciscanus_zanfona_1.fasta.gz

description: .
DOI: 10.7270/q2ms3xgq
title: BindingDB Entry 50012726: An aza-nucleoside, fragment-like inhibitor of the DNA repair enzyme alkyladenine glycosylase (AAG).

description: Small molecule binding data for protein DNA-3-methyladenine glycosylase, Uniprot P29372
DOI: 10.5281/zenodo.7677215
title: mesocentrotus_franciscanus_zanfona_1.fasta.gz

description: .
DOI: 10.7270/q2ms3xh5
title: BindingDB Entry 50013385: Design, synthesis and bioevaluation of novel substituted triazines as potential dual PI3K/mTOR inhibitors.

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 O00329, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2ms3xjm
title: BindingDB Entry 50014009: A first-in-class anticancer dual HDAC2/FAK inhibitors bearing hydroxamates/benzamides capped by pyridinyl-1,2,4-triazoles.

description: Small molecule binding data for protein Focal adhesion kinase 1, Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 6, and Histone deacetylase 8, Uniprot O15379, Q05397, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q2ms3xk2
title: BindingDB Entry 50014671: Amidoxime prodrugs convert to potent cell-active multimodal inhibitors of the dengue virus protease.

description: Small molecule binding data for protein Genome polyprotein, Uniprot P29990
DOI: 10.7270/q2mw2m62
title: BindingDB Entry 9072: Substituted 5-cyanoindole compounds and uses thereof

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2mw2m7h
title: BindingDB Entry 9281: Substituted imidazo[1,2-A]pyridin-2-ylamine compounds, and pharmaceutical compositions and methods of use thereof

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, and P29597
DOI: 10.7270/q2mw2m8z
title: BindingDB Entry 9668: Imidazo isoindole derivative, preparation method therefor and medical use thereof

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1 and Tryptophan 2,3-dioxygenase, Uniprot P14902 and P48775
DOI: 10.7270/q2mw2m9d
title: BindingDB Entry 10055: Ectonucleotidase inhibitors and methods of use thereof

description: Small molecule binding data for protein 5'-nucleotidase, Uniprot P21589
DOI: 10.7270/q2mw2mbv
title: BindingDB Entry 10442: Organosilicon carriers for use in treating infections and/or diseases caused by SARS viruses

description: Small molecule binding data for protein Hemagglutinin, Uniprot P03437
DOI: 10.7270/q2mw2mc9
title: BindingDB Entry 10651: Compounds useful as RET inhibitors

description: Small molecule binding data for protein Proto-oncogene tyrosine-protein kinase receptor Ret and Vascular endothelial growth factor receptor 2, Uniprot P07949 and P35968
DOI: 10.7270/q2mw2mdr
title: BindingDB Entry 10829: Spiroheptanyl hydantoins as rock inhibitors

description: Small molecule binding data for protein Rho-associated protein kinase 2, Uniprot O75116
DOI: 10.7270/q2mw2mf6
title: BindingDB Entry 50006808: Discovery of 4-alkoxy-6-methylpicolinamide negative allosteric modulators of metabotropic glutamate receptor subtype 5.

description: Small molecule binding data for protein Metabotropic glutamate receptor 5, Uniprot P41594
DOI: 10.7270/q2mw2mgn
title: BindingDB Entry 50007411: Design and Biological Evaluation of

description: Small molecule binding data for protein Envelope glycoprotein gp160, Uniprot Q6QLK5
DOI: 10.7270/q2mw2mh3
title: BindingDB Entry 50008015: Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK2, Uniprot O60674
DOI: 10.7270/q2mw2mjj
title: BindingDB Entry 50008637: The synthesis of 4-arylamido-2-arylaminoprimidines as potent EGFR T790M/L858R inhibitors for NSCLC.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2mw2mk0
title: BindingDB Entry 50009286: Dihydroorotate dehydrogenase inhibitors in anti-infective drug research.

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot G4VFD7 and Q02127
DOI: 10.7270/q2mw2mmf
title: BindingDB Entry 50009604: Homotrimerization Approach in the Design of Thrombospondin-1 Mimetic Peptides with Improved Potency in Triggering Regulated Cell Death of Cancer Cells.

description: Small molecule binding data for protein Leukocyte surface antigen CD47, Uniprot Q08722
DOI: 10.7270/q2mw2mnw
title: BindingDB Entry 50009894: Identification of potent, selective KDM5 inhibitors.

description: Small molecule binding data for protein Histone lysine demethylase PHF8, Lysine-specific demethylase 2B, Lysine-specific demethylase 3B, Lysine-specific demethylase 4C, Lysine-specific demethylase 5A, Lysine-specific demethylase 5B, and Lysine-specific demethylase 5C, Uniprot P29375, P41229, Q7LBC6, Q8NHM5, Q9H3R0, Q9UGL1, and Q9UPP1
DOI: 10.7270/q2mw2mpb
title: BindingDB Entry 50010209: Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P0A017
DOI: 10.7270/q2mw2mqs
title: BindingDB Entry 50010797: Topoisomerase Inhibitors Addressing Fluoroquinolone Resistance in Gram-Negative Bacteria.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and DNA gyrase subunit A/B, Uniprot P0AES4, P0AES6, and P40989
DOI: 10.7270/q2mw2mr7
title: BindingDB Entry 50011429: Synthesis and Evaluation of 4-Hydroxycoumarin Imines as Inhibitors of Class II Myosins.

description: Small molecule binding data for protein Myosin-2, Uniprot Q9BE41 and Q9TV63
DOI: 10.7270/q2mw2msp
title: BindingDB Entry 50012060: Discovery of ONO-8590580: A novel, potent and selective GABA

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and Gamma-aminobutyric acid receptor subunit alpha-5/beta-3/gamma-2, Uniprot P18507, P28472, P31644, and P40989
DOI: 10.7270/q2mw2mt4
title: BindingDB Entry 50012678: HER2 Kinase-Targeted Breast Cancer Therapy: Design, Synthesis, and

description: Small molecule binding data for protein Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2, Uniprot P00533 and P04626
DOI: 10.7270/q2mw2mvk
title: BindingDB Entry 50013012: The discovery of potent small molecule activators of human STING.

description: Small molecule binding data for protein Stimulator of interferon genes protein, Uniprot Q86WV6
DOI: 10.7270/q2mw2mw1
title: BindingDB Entry 50013326: Privileged scaffold-based design to identify a novel drug-like 5-HT

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, 5-hydroxytryptamine receptor 1A, and 5-hydroxytryptamine receptor 7, Uniprot P08908, P34969, and P40989
DOI: 10.7270/q2mw2mxg
title: BindingDB Entry 50013684: From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4).

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 4, Uniprot P47809
DOI: 10.7270/q2mw2mzx
title: BindingDB Entry 50014314: Development of FABP4/5 inhibitors with potential therapeutic effect on type 2 Diabetes Mellitus.

description: Small molecule binding data for protein Fatty acid-binding protein 5, Fatty acid-binding protein, adipocyte, and Fatty acid-binding protein, heart, Uniprot P05413, P15090, and Q01469
DOI: 10.7270/q2n019js
title: BindingDB Entry 9250: Tricyclic sulfones as RORγ modulators

description: Small molecule binding data for protein Nuclear receptor ROR-gamma [262-507], Uniprot P51449
DOI: 10.7270/q2n019k7
title: BindingDB Entry 9459: Inhibitors of Bruton's tyrosine kinase and method of their use

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2n019mp
title: BindingDB Entry 9637: Tetrahydroindazoles and medical uses thereof

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot Q02127
DOI: 10.7270/q2n019n4
title: BindingDB Entry 9846: Heteroaryl-substituted sulfonamide compounds and their use as therapeutic agents

description: Small molecule binding data for protein Sodium channel protein type 1 subunit alpha, Sodium channel protein type 5 subunit alpha, and Sodium channel protein type 8 subunit alpha, Uniprot P35498, Q14524, and Q9UQD0
DOI: 10.7270/q2n019pk
title: BindingDB Entry 10233: Processes for the preparation of (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[B]indol-3-yl)acetic acid and salts thereof

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor 1, Uniprot P21453
DOI: 10.7270/q2n019q1
title: BindingDB Entry 10620: Aliphatic acid amide derivative

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 7, D(2) dopamine receptor, and Potassium voltage-gated channel subfamily H member 2, Uniprot P14416, P28223, P34969, and Q12809
DOI: 10.7270/q2n019rg
title: BindingDB Entry 50006762: Positive and Negative Allosteric Modulators of N-Methyl-d-aspartate (NMDA) Receptors: Structure-Activity Relationships and Mechanisms of Action.

description: Small molecule binding data for protein 1,3-beta-glucan synthase, Glutamate receptor ionotropic, NMDA 1/2A, Glutamate receptor ionotropic, NMDA 1/2D, Glutamate receptor ionotropic, NMDA 2B, Glutamate receptor ionotropic, NMDA 2C, and Glutamate receptor ionotropic, NMDA 2D, Uniprot F5BCZ9, O15399, Q00960, Q05586, Q12879, Q13224, and Q14957
DOI: 10.7270/q2n019sx
title: BindingDB Entry 50007074: Targeting Aryl hydrocarbon receptor for next-generation immunotherapies: Selective modulators (SAhRMs) versus rapidly metabolized ligands (RMAhRLs).

description: Small molecule binding data for protein Aryl hydrocarbon receptor, Uniprot P30561 and P35869
DOI: 10.7270/q2n019tc
title: BindingDB Entry 50007354: Discovery of Nonstandard Macrocyclic Peptides as Noncompetitive Inhibitors of the Zika Virus NS2B-NS3 Protease.

description: Small molecule binding data for protein Genome polyprotein and Nonstructural protein 3, Uniprot A0A024AXB9, P06935, and P29990
DOI: 10.7270/q2n019vt
title: BindingDB Entry 50007691: Design, Synthesis, and Mechanism Study of Benzenesulfonamide-Containing Phenylalanine Derivatives as Novel HIV-1 Capsid Inhibitors with Improved Antiviral Activities.

description: Small molecule binding data for protein Structural capsid protein, Uniprot Q76129
DOI: 10.7270/q2n019w8
title: BindingDB Entry 50007968: A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors.

description: Small molecule binding data for protein Acidic mammalian chitinase, Chitinase, Chitinase B, and Chitotriosidase-1, Uniprot P11797, Q13231, Q4AE59, Q91XA9, Q9BZP6, and Q9D7Q1
DOI: 10.7270/q2n019xq
title: BindingDB Entry 50008298: Synthesis and biological evaluation of nitroxide labeled pyrimidines as Aurora kinase inhibitors.

description: Small molecule binding data for protein Aurora kinase A and Aurora kinase B, Uniprot O14965 and Q96GD4
DOI: 10.7270/q2n019z5
title: BindingDB Entry 50008949: Binding pocket-based design, synthesis and biological evaluation of novel selective BRD4-BD1 inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2n01b01
title: BindingDB Entry 50009561: Identification of a novel DGKα inhibitor for XLP-1 therapy by virtual screening.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C, and Diacylglycerol kinase alpha, Uniprot P20192, P23743, P28223, P28335, and P51556
DOI: 10.7270/q2n01b1g
title: BindingDB Entry 50010163: Strategies for the development of highly selective cytochrome P450 inhibitors: Several CYP targets in current research.

description: Small molecule binding data for protein Cytochrome P450 11B1, mitochondrial, Cytochrome P450 11B2, mitochondrial, Cytochrome P450 1A1, Cytochrome P450 1A2, Cytochrome P450 1B1, and Cytochrome P450 3A4, Uniprot P04798, P05177, P08684, P15538, P19099, and Q16678
DOI: 10.7270/q2n01b2x
title: BindingDB Entry 50010466: Thiophene bioisosteres of GluN2B selective NMDA receptor antagonists: Synthesis and pharmacological evaluation of [7]annuleno[b]thiophen-6-amines.

description: Small molecule binding data for protein Glutamate receptor ionotropic, NMDA 2B, Sigma intracellular receptor 2, and Sigma non-opioid intracellular receptor 1, Uniprot Q13224, Q5U3Y7, and Q60492
DOI: 10.7270/q2n01b3c
title: BindingDB Entry 50010751: Design, Synthesis, and Physicochemical and Pharmacological Profiling of 7-Hydroxy-5-oxopyrazolo[4,3-

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2n01b4t
title: BindingDB Entry 50011088: VEGFR-2 inhibiting effect and molecular modeling of newly synthesized coumarin derivatives as anti-breast cancer agents.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2n01b58
title: BindingDB Entry 50011711: Chemical Inhibition of Human Thymidylate Kinase and Structural Insights into the Phosphate Binding Loop and Ligand-Induced Degradation.

description: Small molecule binding data for protein Thymidylate kinase, Uniprot P23919
DOI: 10.7270/q2n01b6q
title: BindingDB Entry 50012337: Synthesis and identification of a novel derivative of salidroside as a selective, competitive inhibitor of monoamine oxidase B with enhanced neuroprotective properties.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] B, Uniprot P27338
DOI: 10.7270/q2n01b75
title: BindingDB Entry 50012962: Discovery of a Selective, Covalent IRAK1 Inhibitor with Antiproliferative Activity in MYD88 Mutated B-Cell Lymphoma.

description: Small molecule binding data for protein Interleukin-1 receptor-associated kinase 1, Interleukin-1 receptor-associated kinase 4, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8, Mitogen-activated protein kinase 9, and Mitogen-activated protein kinase kinase kinase 19, Uniprot P45983, P45984, P51617, P53779, Q56UN5, and Q9NWZ3
DOI: 10.7270/q2n01b8m
title: BindingDB Entry 50013621: Discovery of novel modulators for the PPARα (peroxisome proliferator activated receptor α): Potential therapies for nonalcoholic fatty liver disease.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, and Peroxisome proliferator-activated receptor gamma, Uniprot P23204, P37231, Q03181, and Q07869
DOI: 10.7270/q2n01b92
title: BindingDB Entry 50013959: Green synthesis of therapeutically active 1,3,4-oxadiazoles as antioxidants, selective COX-2 inhibitors and their in silico studies.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2, Uniprot P23219 and P35354
DOI: 10.7270/q2n01bbh
title: BindingDB Entry 50014266: Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cytochrome P450 2C9, and RAC-alpha serine/threonine-protein kinase, Uniprot P11712, P31749, Q96GD4, and Q9NQS7
DOI: 10.7270/q2n01bcz
title: BindingDB Entry 50014622: The spectrum between substrates and inhibitors: Pinpointing the binding mode of dengue protease ligands with modulated basicity and hydrophobicity.

description: Small molecule binding data for protein Genome polyprotein, Uniprot P29990
DOI: 10.7270/q2n3010z
title: BindingDB Entry 9041: Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor, Uniprot P07550 and P34971