cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2kk9gng
title: BindingDB Entry 50014441: Discovery of novel N-1 substituted pyrazolopyrimidinones as potent, selective PDE2 inhibitors.

description: Small molecule binding data for protein Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A, High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A/cAMP-specific 3',5'-cyclic phosphodiesterase 7B, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, O43924/P16499/P18545/P35913/P51160/Q13956, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D, cGMP-dependent 3',5'-cyclic phosphodiesterase, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O43924, O76074, O76083, P16499, P18545, P27815, P35913, P51160, Q07343, Q08493, Q08499, Q13946, Q13956, Q9HCR9, Q9NP56, and Q9Y233
DOI: 10.7270/q2kp8554
title: BindingDB Entry 9142: (Aza)pyridopyrazolopyrimidinones and indazolopyrimidinones and their use

description: Small molecule binding data for protein Plasminogen [101-181], Uniprot P00747
DOI: 10.7270/q2kp856k
title: BindingDB Entry 9320: Compounds and their use for reducing uric acid levels

description: Small molecule binding data for protein Solute carrier family 22 member 12 and Xanthine dehydrogenase/oxidase, Uniprot P47989 and Q96S37
DOI: 10.7270/q2kp8571
title: BindingDB Entry 9529: N-substituted bicyclic lactams, their preparation and their use as pharmaceuticals

description: Small molecule binding data for protein Bromodomain-containing protein 4 [49-170], Uniprot O60885
DOI: 10.7270/q2kp858g
title: BindingDB Entry 9916: Bicyclic heterocycles as FGFR4 inhibitors

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, and Fibroblast growth factor receptor 4, Uniprot P11362, P21802, P22455, and P22607
DOI: 10.7270/q2kp859x
title: BindingDB Entry 10303: Methods for modulating taste receptors

description: Small molecule binding data for protein Taste receptor type 1 member 1/3, Uniprot Q7RTX0 and Q7RTX1
DOI: 10.7270/q2kp85bc
title: BindingDB Entry 10690: Serine/threonine kinase inhibitors

description: Small molecule binding data for protein Mitogen-activated protein kinase 6, Uniprot Q16659
DOI: 10.7270/q2kp85ct
title: BindingDB Entry 10899: Benzoimidazoles as selective inhibitors of indoleamine 2,3-dioxygenases

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2kp85d8
title: BindingDB Entry 50006866: Discovery and Development of a Series of Pyrazolo[3,4-

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, ALK tyrosine kinase receptor, Ephrin type-A receptor 2, Epidermal growth factor receptor, Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, Hepatocyte growth factor receptor, Platelet-derived growth factor receptor beta, Proto-oncogene tyrosine-protein kinase Src, Proto-oncogene tyrosine-protein kinase receptor Ret, Receptor tyrosine-protein kinase erbB-2, Receptor tyrosine-protein kinase erbB-4, Tyrosine-protein kinase ABL1, Vascular endothelial growth factor receptor 1, and Vascular endothelial growth factor receptor 2, Uniprot P00519, P00533, P04626, P07949, P08581, P09619, P11362, P12931, P17948, P21802, P22455, P22607, P29317, P35968, P40989, Q15303, and Q9UM73
DOI: 10.7270/q2kp85fq
title: BindingDB Entry 50007180: Synthesis and SAR studies of novel benzodiazepinedione-based inhibitors of Clostridium difficile (C. difficile) toxin B (TcdB).

description: Small molecule binding data for protein Toxin A and Toxin B, Uniprot P16154 and P18177
DOI: 10.7270/q2kp85g5
title: BindingDB Entry 50007473: Optimization of Peptidomimetics as Selective Inhibitors for the β-Catenin/T-Cell Factor Protein-Protein Interaction.

description: Small molecule binding data for protein Catenin beta-1, Uniprot P35222
DOI: 10.7270/q2kp85hm
title: BindingDB Entry 50007796: Further exploration of an N-aryl phenoxyethoxy pyridinone-based series of mGlu

description: Small molecule binding data for protein Metabotropic glutamate receptor 3, Uniprot P31422
DOI: 10.7270/q2kp85j2
title: BindingDB Entry 50008399: Triazole-Based Inhibitors of the Wnt/β-Catenin Signaling Pathway Improve Glucose and Lipid Metabolisms in Diet-Induced Obese Mice.

description: Small molecule binding data for protein Glycogen synthase kinase-3 beta, Uniprot P49841
DOI: 10.7270/q2kp85kh
title: BindingDB Entry 50009049: Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.

description: Small molecule binding data for protein Methionine aminopeptidase 2, Uniprot P50579
DOI: 10.7270/q2kp85mz
title: BindingDB Entry 50009674: Novel Benzohydroxamate-Based Potent and Selective Histone Deacetylase 6 (HDAC6) Inhibitors Bearing a Pentaheterocyclic Scaffold: Design, Synthesis, and Biological Evaluation.

description: Small molecule binding data for protein Cytochrome P450 3A4, Histone deacetylase 3/Nuclear receptor corepressor 2, and Histone deacetylase 6, Uniprot O15379, P08684, Q9UBN7, and Q9Y618
DOI: 10.7270/q2kp85nd
title: BindingDB Entry 50010004: Design, Synthesis, and Antitumor Evaluation of 4-Amino-(1

description: Small molecule binding data for protein Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, and P52333
DOI: 10.6084/m9.figshare.19773109
title: LAMMPS-DeePMD

description: This dataset includes: 01_VASP: Input files for density functional theory molecular dynamics simulations using VASP 02_DP-GEN: Input files for generating training datasets using DP-GEN 03_DeePMD: Input files and datasets for constructing neural network potentials using DeePMD 04_LAMMPS: Large-scale molecular dynamics simulations using LAMMPS with network potentials 05_OUTPUT: An example of solid-liquid coexisting molecular dynamics trajectory Code availability: All molecular dynamics simulations were carried out using the open-source LAMMPS code (https://www.lammps.org). Enhanced sampling is based on the open-source PLUMED library (https://www.plumed.org). These two codes are implemented in the open-source DeePMD-kit code (https://github.com/deepmodeling/deepmd-kit) for NNP construction. Active learning was performed using the open-source DP-GEN code (https://github.com/deepmodeling/dpgen). Density functional theory calculations were performed using VASP which is proprietary software available for purchase (at https://www.vasp.at).
DOI: 10.7270/q2kp85pv
title: BindingDB Entry 50010257: Synthesis and aromatase inhibitory evaluation of 4-N-nitrophenyl substituted amino-4H-1,2,4-triazole derivatives.

description: Small molecule binding data for protein Aromatase, Uniprot P11511
DOI: 10.7270/q2kp85q9
title: BindingDB Entry 50010561: Design, synthesis, and evaluation of indeno[2,1-c]pyrazolones for use as inhibitors against hypoxia-inducible factor (HIF)-1 transcriptional activity.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Uniprot Q16665
DOI: 10.7270/q2kp85rr
title: BindingDB Entry 50011198: Late-Stage Lead Diversification Coupled with Quantitative Nuclear Magnetic Resonance Spectroscopy to Identify New Structure-Activity Relationship Vectors at Nanomole-Scale Synthesis: Application to Loratadine, a Human Histamine H

description: Small molecule binding data for protein Histamine H1 receptor, Uniprot P35367
DOI: 10.7270/q2kp85s6
title: BindingDB Entry 50011825: Design and synthesis of tripeptidyl furylketones as selective inhibitors against the β5 subunit of human 20S proteasome.

description: Small molecule binding data for protein Proteasome subunit beta type-1, Proteasome subunit beta type-2, and Proteasome subunit beta type-5, Uniprot P20618, P28074, and P49721
DOI: 10.7270/q2kp85tn
title: BindingDB Entry 50012444: A Set of Highly Sensitive Sirtuin Fluorescence Probes for Screening Small-Molecular Sirtuin Defatty-Acylase Inhibitors.

description: Small molecule binding data for protein NAD-dependent protein deacetylase sirtuin-2, Uniprot Q8IXJ6
DOI: 10.7270/q2kp85v3
title: BindingDB Entry 50013092: Pleiotropic prodrugs: Design of a dual butyrylcholinesterase inhibitor and 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, Acetylcholinesterase, and Cholinesterase, Uniprot P06276, P22303, P34969, and P50406
DOI: 10.7270/q2kp85wj
title: BindingDB Entry 50013442: Discovery of a "Gatekeeper" Antagonist that Blocks Entry Pathway to Retinoid X Receptors (RXRs) without Allosteric Ligand Inhibition in Permissive RXR Heterodimers.

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha, Uniprot P19793
DOI: 10.7270/q2kp85x0
title: BindingDB Entry 50013742: Ring closure strategy leads to potent RIPK3 inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Activin receptor type-1B, Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, Epidermal growth factor receptor, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Platelet-derived growth factor receptor alpha, Receptor-interacting serine/threonine-protein kinase 1, Receptor-interacting serine/threonine-protein kinase 3, Serine/threonine-protein kinase B-raf, and Serine/threonine-protein kinase mTOR, Uniprot P00533, P11802, P15056, P16234, P30281, P36896, P40989, P42336, P42345, Q13546, and Q9Y572
DOI: 10.7270/q2kp85zf
title: BindingDB Entry 50014084: Discovery of Encequidar, First-in-Class Intestine Specific P-glycoprotein Inhibitor.

description: Small molecule binding data for protein ATP-binding cassette sub-family C member 2, ATP-binding cassette sub-family C member 3, ATP-dependent translocase ABCB1, Broad substrate specificity ATP-binding cassette transporter ABCG2, and Multidrug resistance-associated protein 1, Uniprot O15438, P08183, P33527, Q92887, and Q9UNQ0
DOI: 10.7270/q2kp8609
title: BindingDB Entry 50014737: Design and Synthesis of Oleanolic Acid Trimers to Enhance Inhibition of Influenza Virus Entry.

description: Small molecule binding data for protein Hemagglutinin, Uniprot B4URE7 and P03452
DOI: 10.7270/q2ks6vk2
title: BindingDB Entry 9111: Substituted pyrazolo/imidazolo bicyclic compounds as PDE2 inhibitors

description: Small molecule binding data for protein Phosphodiesterase and cGMP-dependent 3',5'-cyclic phosphodiesterase, Uniprot F6TL18 and O00408
DOI: 10.7270/q2ks6vmh
title: BindingDB Entry 9498: Substituted aminoquinazoline compounds as A2A antagonist

description: Small molecule binding data for protein Adenosine receptor A2a, Uniprot P29274
DOI: 10.7270/q2ks6vnz
title: BindingDB Entry 9707: Toll-like receptor 7 (TLR7) agonists having a pyridine or pyrazine moiety, conjugates thereof, and methods and uses therefor

description: Small molecule binding data for protein Interleukin-6 and Toll-like receptor 7, Uniprot P05231 and Q9NYK1
DOI: 10.7270/q2ks6vpd
title: BindingDB Entry 9885: Compound useful for the treatment of degenerative and inflammatory diseases

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2 [871-1187], Tyrosine-protein kinase JAK1 [850-1154], Tyrosine-protein kinase JAK2 [808-1132], and Tyrosine-protein kinase JAK3 [781-1124], Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q2ks6vqv
title: BindingDB Entry 10094: Triazolopyridine inhibitors of myeloperoxidase

description: Small molecule binding data for protein Myeloperoxidase, Uniprot P05164
DOI: 10.7270/q2ks6vr9
title: BindingDB Entry 10481: Selective inhibitors of protein arginine methyltransferase 5 (PRMT5)

description: Small molecule binding data for protein Protein arginine N-methyltransferase 5, Uniprot O14744
DOI: 10.7270/q2ks6vsr
title: BindingDB Entry 10868: Pyridazines

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Uniprot Q13822
DOI: 10.7270/q2ks6vt6
title: BindingDB Entry 50007135: Dihydropyrazothiazole derivatives as potential MMP-2/MMP-8 inhibitors for cancer therapy.

description: Small molecule binding data for protein 72 kDa type IV collagenase and Neutrophil collagenase, Uniprot P08253 and P22894
DOI: 10.7270/q2ks6vvn
title: BindingDB Entry 50007753: Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.

description: Small molecule binding data for protein Dual specificity protein kinase CLK2, Dual specificity protein kinase TTK, Dual specificity tyrosine-phosphorylation-regulated kinase 3, Leucine-rich repeat serine/threonine-protein kinase 2, Leukocyte tyrosine kinase receptor, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8, Mitogen-activated protein kinase 9, and Testis-specific serine/threonine-protein kinase 1, Uniprot O43781, P29376, P33981, P45983, P45984, P49760, P53779, Q5S007, and Q9BXA7
DOI: 10.7270/q2ks6vw3
title: BindingDB Entry 50008080: Design, synthesis and biological evaluation of novel 4-anilinoquinazoline derivatives as hypoxia-selective EGFR and VEGFR-2 dual inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot P00533 and P35968
DOI: 10.7270/q2ks6vxj
title: BindingDB Entry 50008350: Molecular Mechanism of Inhibition of Acid Ceramidase by Carmofur.

description: Small molecule binding data for protein Acid ceramidase, Uniprot Q13510
DOI: 10.7270/q2ks6vz0
title: BindingDB Entry 50008709: Synthesis and Structure-Affinity Relationships of Spirocyclic Benzopyrans with Exocyclic Amino Moiety.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Sigma intracellular receptor 2, and Sigma non-opioid intracellular receptor 1, Uniprot P33533, P35372, P41144, P97266, Q5BJF2, Q5U3Y7, Q60492, and Q99720
DOI: 10.7270/q2ks6w0v
title: BindingDB Entry 50009342: Design, Synthesis, and Biological Evaluation of Quinazolin-4-one-Based Hydroxamic Acids as Dual PI3K/HDAC Inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, 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 Polyamine deacetylase HDAC10, Uniprot O00329, O15379, P42336, P42338, P48736, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2ks6w19
title: BindingDB Entry 50009955: Aligning Potency and Pharmacokinetic Properties for Pyridine-Based NCINIs.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q2ks6w2r
title: BindingDB Entry 50010520: Isolation and Synthesis of Veranamine, an Antidepressant Lead from the Marine Sponge

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, 5-hydroxytryptamine receptor 1E, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, 5-hydroxytryptamine receptor 2C, 5-hydroxytryptamine receptor 3A, 5-hydroxytryptamine receptor 5A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, Alpha-1A adrenergic receptor, Alpha-1B adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Beta-1 adrenergic receptor, D(1A) dopamine receptor, D(1B) dopamine receptor, D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, Delta-type opioid receptor, Histamine H1 receptor, Histamine H2 receptor, Histamine H3 receptor, Histamine H4 receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Sigma intracellular receptor 2, Sigma non-opioid intracellular receptor 1, Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P08172, P08173, P08588, P08908, P08912, P08913, P11229, P14416, P18089, P18825, P20309, P21728, P21917, P21918, P23975, P25021, P28221, P28222, P28223, P28335, P28566, P31645, P34969, P35348, P35367, P35368, P35372, P35462, P41143, P41145, P41595, P46098, P47898, P50406, Q01959, Q5BJF2, Q99720, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2ks6w36
title: BindingDB Entry 50010861: Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Bile salt export pump, Coagulation factor IX, Coagulation factor VII, Coagulation factor X, Coagulation factor XI, Complement factor D, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Plasma kallikrein, Plasminogen, Prostaglandin G/H synthase 1, Prothrombin, Synaptic vesicular amine transporter, Tissue-type plasminogen activator, Urokinase-type plasminogen activator, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot O95342, P00734, P00740, P00742, P00746, P00747, P00749, P00750, P03951, P03952, P08684, P08709, P10635, P11712, P23219, P40989, Q05940, and Q08499
DOI: 10.7270/q2ks6w4n
title: BindingDB Entry 50011147: Discovery of CRBN E3 Ligase Modulator CC-92480 for the Treatment of Relapsed and Refractory Multiple Myeloma.

description: Small molecule binding data for protein Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor and D(2) dopamine receptor, Uniprot P14416, P25100, P35348, and P35368
DOI: 10.7270/q2ks6w53
title: BindingDB Entry 50011503: Recent progress in the discovery of ghrelin

description: Small molecule binding data for protein Ghrelin O-acyltransferase and Growth hormone secretagogue receptor type 1, Uniprot P0C7A3, Q92847, and Q96T53
DOI: 10.7270/q2ks6w6j
title: BindingDB Entry 50012120: Discovery of First-In-Class Potent and Selective Tropomyosin Receptor Kinase Degraders.

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor and High affinity nerve growth factor receptor, Uniprot P04629 and Q16620
DOI: 10.7270/q2ks6w70
title: BindingDB Entry 50012737: High-Throughput Screening for the Discovery of Enzyme Inhibitors.

description: Small molecule binding data for protein Immunoglobulin A1 protease autotransporter, Uniprot P44969
DOI: 10.7270/q2ks6w8f
title: BindingDB Entry 50013394: A cell-penetrant lactam-stapled peptide for targeting eIF4E protein-protein interactions.

description: Small molecule binding data for protein Eukaryotic translation initiation factor 4E, Uniprot P06730
DOI: 10.7270/q2ks6w9w
title: BindingDB Entry 50014021: Conformational-Analysis-Guided Discovery of 2,3-Disubstituted Pyridine IDO1 Inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Indoleamine 2,3-dioxygenase 1, and Nuclear receptor subfamily 1 group I member 2, Uniprot O75469, P10632, P11712, P14902, P28776, P33261, and P40989
DOI: 10.7270/q2ks6wbb
title: BindingDB Entry 50014382: Building a Chemical Toolbox for Human Pregnane X Receptor Research: Discovery of Agonists, Inverse Agonists, and Antagonists Among Analogs Based on the Unique Chemical Scaffold of SPA70.

description: Small molecule binding data for protein Nuclear receptor subfamily 1 group I member 2, Uniprot O75469
DOI: 10.7270/q2ks6wcs
title: BindingDB Entry 50014684: Improved potency of pyridin-2(1H)one derivatives for the treatment of mechanical allodynia.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2kw5k34
title: BindingDB Entry 9289: Cyanoindazole compounds and uses thereof

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 1, Uniprot Q92918
DOI: 10.7270/q2kw5k4k
title: BindingDB Entry 9676: Triazole phenyl compounds as agonists of the APJ receptor

description: Small molecule binding data for protein Apelin receptor, Uniprot P35414
DOI: 10.7270/q2kw5k51
title: BindingDB Entry 10063: Heterocyclic compounds useful as dual ATX/CA inhibitors

description: Small molecule binding data for protein Ataxin-1 and Carbonic anhydrase 2, Uniprot P00918 and P54253
DOI: 10.7270/q2kw5k6g
title: BindingDB Entry 10272: 4-pyrazin-2-ylmethyl-morpholine derivatives and the use thereof as medicament

description: Small molecule binding data for protein Retinoic acid receptor RXR-beta, Uniprot P28702
DOI: 10.7270/q2kw5k7x
title: BindingDB Entry 10450: (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof

description: Small molecule binding data for protein Elongin-B/Elongin-C [17-112]/von Hippel-Lindau disease tumor suppressor [55-213] and von Hippel-Lindau disease tumor suppressor, Uniprot P40337, Q15369, and Q15370
DOI: 10.7270/q2kw5k8c
title: BindingDB Entry 10659: Compounds

description: Small molecule binding data for protein Anoctamin-1, Uniprot Q5XXA6
DOI: 10.7270/q2kw5k9t
title: BindingDB Entry 50006826: Development of hydroxamate-based histone deacetylase inhibitors containing 1,2,4-oxadiazole moiety core with antitumor activities.

description: Small molecule binding data for protein Histone deacetylase 1, Uniprot Q13547
DOI: 10.7270/q2kw5kb8
title: BindingDB Entry 50007424: Trivirensols: Selectively Bacteriostatic Sesquiterpene Trimers from the Australian Termite Nest-Derived Fungus

description: Small molecule binding data for protein Cholesterol side-chain cleavage enzyme, mitochondrial, Uniprot P14137
DOI: 10.7270/q2kw5kcq
title: BindingDB Entry 50008030: Targeting dihydrofolate reductase: Design, synthesis and biological evaluation of novel 6-substituted pyrrolo[2,3-d]pyrimidines as nonclassical antifolates and as potential antitumor agents.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374
DOI: 10.7270/q2kw5kd5
title: BindingDB Entry 50008654: Design and Optimization of Sulfone Pyrrolidine Sulfonamide Antagonists of Transient Receptor Potential Vanilloid-4 with in Vivo Activity in a Pulmonary Edema Model.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 3A4, Cytochrome P450 4B1, Short transient receptor potential channel 3/6, Transient receptor potential cation channel subfamily A member 1, Transient receptor potential cation channel subfamily M member 2, Transient receptor potential cation channel subfamily M member 8, Transient receptor potential cation channel subfamily V member 1, Transient receptor potential cation channel subfamily V member 4, and Voltage-dependent L-type calcium channel subunit alpha-1C, Uniprot O75762, O94759, P08684, P13584, P40989, Q13507, Q13936, Q7Z2W7, Q8NER1, Q9ERZ8, Q9HBA0, and Q9Y210
DOI: 10.7270/q2kw5kfm
title: BindingDB Entry 50009001: Benzoic acid-derived nitrones: A new class of potential acetylcholinesterase inhibitors and neuroprotective agents.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908