cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2rx9gzh
title: BindingDB Entry 50015238: Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2, MAP/microtubule affinity-regulating kinase 3, Mitogen-activated protein kinase 3, Potassium voltage-gated channel subfamily H member 2, and Substance-P receptor, Uniprot P25103, P27361, P27448, Q12809, and Q5S007
DOI: 10.7270/q2n58r8z
title: BindingDB Entry 50015240: Discovery of 2H-chromone-4-one based sulfonamide derivatives as potent retinoic acid receptor-related orphan receptor γt inverse agonists.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449
DOI: 10.7270/q2hd80k2
title: BindingDB Entry 50015242: Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site.

description: Small molecule binding data for protein Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, and CREB-binding protein, Uniprot O60885, P25440, Q15059, Q58F21, and Q92793
DOI: 10.7270/q2cr5z77
title: BindingDB Entry 50015243: Design of a Potent TLX Agonist by Rational Fragment Fusion.

description: Small molecule binding data for protein Nuclear receptor subfamily 2 group E member 1, Uniprot Q9Y466
DOI: 10.7270/q28056h6
title: BindingDB Entry 50015244: A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes.

description: Small molecule binding data for protein Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, and Mitogen-activated protein kinase 14, Uniprot O60885, P25440, Q15059, Q16539, and Q58F21
DOI: 10.7270/q2474fsg
title: BindingDB Entry 50015245: Novel Macrocyclic Peptidomimetics Targeting the Polo-Box Domain of Polo-Like Kinase 1.

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1, Uniprot P53350
DOI: 10.7270/q20g3q25
title: BindingDB Entry 50015248: Discovery of Novel Histone Deacetylase 6 (HDAC6) Inhibitors with Enhanced Antitumor Immunity of Anti-PD-L1 Immunotherapy in Melanoma.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3, Histone deacetylase 6, and Histone deacetylase 8, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2vq36kv
title: BindingDB Entry 50015249: Design, Synthesis, and Biological Evaluation of Triazolone Derivatives as Potent PPARα/δ Dual Agonists for the Treatment of Nonalcoholic Steatohepatitis.

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, P35396, P37231, P37238, Q03181, and Q07869
DOI: 10.7270/q2qz2fv4
title: BindingDB Entry 50015250: Neochrysosporazines: Precursor-Directed Biosynthesis Defines a Marine-Derived Fungal Natural Product P-Glycoprotein Inhibitory Pharmacophore.

description: Small molecule binding data for protein ATP-dependent translocase ABCB1, Uniprot P08183
DOI: 10.7270/q2m61q5k
title: BindingDB Entry 50015251: Optimization of 2-Amino-4,6-diarylpyrimidine-5-carbonitriles as Potent and Selective A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2gh9nt5
title: BindingDB Entry 50015252: Discovery of Novel Pyridine-Dimethyl-Phenyl-DAPY Hybrids by Molecular Fusing of Methyl-Pyrimidine-DAPYs and Difluoro-Pyridinyl-DAPYs: Improving the Druggability toward High Inhibitory Activity, Solubility, Safety, and PK.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Reverse transcriptase/RNaseH, Uniprot P05177, P10635, P11712, P33261, and Q72547
DOI: 10.7270/q2br8x2d
title: BindingDB Entry 50015253: -Substituted 5-(1

description: Small molecule binding data for protein Polyunsaturated fatty acid lipoxygenase ALOX15, Uniprot P12530 and P16050
DOI: 10.7270/q27085bc
title: BindingDB Entry 50015254: Discovery of

description: Small molecule binding data for protein Androgen receptor, Uniprot P10275
DOI: 10.7270/q2377dmn
title: BindingDB Entry 50015257: Structural Optimization and Structure-Activity Relationship Studies of 6,6-Dimethyl-4-(phenylamino)-6

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor, Ephrin type-A receptor 8, Epithelial discoidin domain-containing receptor 1, High affinity nerve growth factor receptor, NT-3 growth factor receptor, Nuclear receptor subfamily 2 group C member 2, Tyrosine-protein kinase FRK, Tyrosine-protein kinase Fes/Fps, Tyrosine-protein kinase Mer, and Tyrosine-protein kinase receptor TYRO3, Uniprot P04629, P07332, P29322, P42685, P49116, Q06418, Q08345, Q12866, Q16288, and Q16620
DOI: 10.7270/q2zg6x4c
title: BindingDB Entry 50015263: Development of High Brain-Penetrant and Reversible Monoacylglycerol Lipase PET Tracers for Neuroimaging.

description: Small molecule binding data for protein Monoglyceride lipase, Uniprot O35678 and Q99685
DOI: 10.7270/q2tq65fg
title: BindingDB Entry 50015264: Synthesis and Characterization of 5-(2-Fluoro-4-[

description: Small molecule binding data for protein Metabotropic glutamate receptor 2, Uniprot Q14416
DOI: 10.7270/q2pz5dqr
title: BindingDB Entry 50015267: Unique Oxidative Metabolism of Bufalin Generates Two Reactive Metabolites That Strongly Inactivate Human Cytochrome P450 3A.

description: Small molecule binding data for protein Cytochrome P450 3A4, Cytochrome P450 3A5, and Cytochrome P450 3A7, Uniprot P08684, P20815, and P24462
DOI: 10.7270/q2k93cfh
title: BindingDB Entry 50015268: Discovery of Pteridine-7(8

description: Small molecule binding data for protein Epidermal growth factor receptor, Tyrosine-protein kinase BTK, and Tyrosine-protein kinase ITK/TSK, Uniprot P00533, Q06187, and Q08881
DOI: 10.7270/q2fj2mqs
title: BindingDB Entry 50015271: Importance of Binding Site Hydration and Flexibility Revealed When Optimizing a Macrocyclic Inhibitor of the Keap1-Nrf2 Protein-Protein Interaction.

description: Small molecule binding data for protein Kelch-like ECH-associated protein 1 and Nuclear factor erythroid 2-related factor 2, Uniprot Q14145 and Q16236
DOI: 10.7270/q29s1vzm
title: BindingDB Entry 50015272: Discovery of Non-Nucleotide Small-Molecule STING Agonists

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 subfamily 1 group I member 2, and Stimulator of interferon genes protein, Uniprot O75469, P05177, P08684, P10632, P10635, P11712, P33261, Q3TBT3, and Q86WV6
DOI: 10.7270/q2611470
title: BindingDB Entry 50015273: Bridged Piperidine Analogues of a High Affinity Naphthalene-Based P2Y

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1D, 5-hydroxytryptamine receptor 2C, Alpha-2B adrenergic receptor, Beta-3 adrenergic receptor, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, D(1A) dopamine receptor, D(1B) dopamine receptor, D(3) dopamine receptor, Kappa-type opioid receptor, Muscarinic acetylcholine receptor M1, P2Y purinoceptor 14, Potassium voltage-gated channel subfamily H member 2, Sigma intracellular receptor 2, Sigma non-opioid intracellular receptor 1, Sodium-dependent serotonin transporter, and Translocator protein, Uniprot P05177, P08684, P10635, P11229, P11712, P13945, P18089, P21728, P21918, P28221, P28335, P30536, P31645, P33261, P35462, P41145, Q12809, Q15391, Q5BJF2, Q99720, and Q9ESG6
DOI: 10.7270/q2280ch8
title: BindingDB Entry 50015277: Discovery of a Potent and Selective ATAD2 Bromodomain Inhibitor with Antiproliferative Activity in Breast Cancer Models.

description: Small molecule binding data for protein ATPase family AAA domain-containing protein 2, ATPase family AAA domain-containing protein 2B, Bromodomain and WD repeat-containing protein 1, Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, Bromodomain-containing protein 9, Chromatin remodeling regulator CECR2, Histone acetyltransferase KAT2B, Histone acetyltransferase p300, Nucleosome-remodeling factor subunit BPTF, Probable global transcription activator SNF2L2, Protein polybromo-1, and Transcription initiation factor TFIID subunit 1, Uniprot O60885, P21675, P25440, P51531, Q09472, Q12830, Q15059, Q58F21, Q6PL18, Q86U86, Q92831, Q9BXF3, Q9H8M2, Q9NSI6, and Q9ULI0
DOI: 10.7270/q2xg9w1f
title: BindingDB Entry 50015278: Identification of 2-Aminopyrimidine Derivatives as FLT3 Kinase Inhibitors with High Selectivity over c-KIT.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Aurora kinase A, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 6, Cytoplasmic tyrosine-protein kinase BMX, Ephrin type-A receptor 1, Epidermal growth factor receptor, High affinity nerve growth factor receptor, Insulin-like growth factor 1 receptor, Mast/stem cell growth factor receptor Kit, Receptor-type tyrosine-protein kinase FLT3 [K633Q], Serine/threonine-protein kinase PAK 1, Tyrosine-protein kinase BTK, Tyrosine-protein kinase JAK3, and Wee1-like protein kinase, Uniprot O14965, P00533, P04629, P06493, P08069, P10721, P21709, P24941, P30291, P36888, P51813, P52333, Q00534, Q06187, Q13153, and Q9UM73
DOI: 10.7270/q2sq9493
title: BindingDB Entry 50015279: Development of Selective Phosphatidylinositol 5-Phosphate 4-Kinase γ Inhibitors with a Non-ATP-competitive, Allosteric Binding Mode.

description: Small molecule binding data for protein Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha, Phosphatidylinositol 5-phosphate 4-kinase type-2 beta, and Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma, Uniprot P48426, P78356, and Q8TBX8
DOI: 10.7270/q2p2731v
title: BindingDB Entry 50015285: Activable Targeted Protein Degradation Platform Based on Light-triggered Singlet Oxygen.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372
DOI: 10.7270/q2j96b94
title: BindingDB Entry 50015286: Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.

description: Small molecule binding data for protein Transcription initiation factor TFIID subunit 1, Uniprot P21675
DOI: 10.7270/q2dj5kjz
title: BindingDB Entry 50015289: Discovery of Pyridone-Substituted Triazolopyrimidine Dual A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q28s4tt7
title: BindingDB Entry 50015290: Development of Myostatin Inhibitory d-Peptides to Enhance the Potency, Increasing Skeletal Muscle Mass in Mice.

description: Small molecule binding data for protein Growth/differentiation factor 8 and Transforming growth factor beta-1 proprotein, Uniprot O14793 and P01137
DOI: 10.7270/q2514342
title: BindingDB Entry 50015291: Lead Optimization to Advance Protease-Activated Receptor-1 Antagonists in Early Discovery.

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2 and Proteinase-activated receptor 1, Uniprot P25116 and Q12809
DOI: 10.7270/q2183bdb
title: BindingDB Entry 50015293: Selective Macrocyclic Inhibitors of DYRK1A/B.

description: Small molecule binding data for protein Calcium/calmodulin-dependent protein kinase type 1B, Dual specificity mitogen-activated protein kinase kinase 4, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Dual specificity tyrosine-phosphorylation-regulated kinase 1B, Focal adhesion kinase 1, High affinity nerve growth factor receptor, Misshapen-like kinase 1, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8, Mitogen-activated protein kinase 9, Mitogen-activated protein kinase kinase kinase 19, Myosin light chain kinase, smooth muscle, Receptor-type tyrosine-protein kinase FLT3 [K633Q], Ribosomal protein S6 kinase alpha-1, Ribosomal protein S6 kinase alpha-2, Ribosomal protein S6 kinase alpha-3, Ribosomal protein S6 kinase alpha-6, Serine/threonine-protein kinase Sgk1, and TRAF2 and NCK-interacting protein kinase, Uniprot O00141, P04629, P36888, P45983, P45984, P45985, P51812, P53779, Q05397, Q13627, Q15349, Q15418, Q15746, Q56UN5, Q6P2M8, Q8N4C8, Q9UK32, Q9UKE5, and Q9Y463
DOI: 10.7270/q2wh2tw6
title: BindingDB Entry 50015294: Heparan Sulfate Mimetics Differentially Affect Homologous Chemokines and Attenuate Cancer Development.

description: Small molecule binding data for protein C-C motif chemokine 2, C-C motif chemokine 5, C-X-C motif chemokine 10, Interleukin-8, and Stromal cell-derived factor 1, Uniprot P02778, P10145, P13500, P13501, and P48061
DOI: 10.7270/q2rv0smn
title: BindingDB Entry 50015298: Discovery of New Imidazo[2,1-

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor, Fibroblast growth factor receptor 1, Homeodomain-interacting protein kinase 1, Mitogen-activated protein kinase 11, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 8, Mitogen-activated protein kinase kinase kinase 20, RAF proto-oncogene serine/threonine-protein kinase, Receptor-type tyrosine-protein kinase FLT3 [K633Q], Serine/threonine-protein kinase B-raf, Serine/threonine-protein kinase/endoribonuclease IRE1, and Tyrosine-protein kinase ABL1, Uniprot O75460, P00519, P04049, P11362, P15056, P36888, P45983, Q15759, Q16539, Q16620, Q86Z02, and Q9NYL2
DOI: 10.7270/q2n301v5
title: BindingDB Entry 50015301: Novel Dual-Target μ-Opioid Receptor and Dopamine D

description: Small molecule binding data for protein D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, and Mu-type opioid receptor, Uniprot P14416, P21917, P35372, and P35462
DOI: 10.7270/q2h9993v
title: BindingDB Entry 50015302: Optimization of

description: Small molecule binding data for protein Nitric oxide synthase, brain, Nitric oxide synthase, endothelial, and Nitric oxide synthase, inducible, Uniprot P29474, P29475, and P35228
DOI: 10.7270/q2cj8jc4
title: BindingDB Entry 50015304: Addressing a Trapped High-Energy Water: Design and Synthesis of Highly Potent Pyrimidoindole-Based Glycogen Synthase Kinase-3β Inhibitors.

description: Small molecule binding data for protein Glycogen synthase kinase-3 beta, Uniprot P49841
DOI: 10.7270/q27s7snd
title: BindingDB Entry 50015305: Identification of Pyrimidine-Based Lead Compounds for Understudied Kinases Implicated in Driving Neurodegeneration.

description: Small molecule binding data for protein AP2-associated protein kinase 1, Activin receptor type-1, BMP-2-inducible protein kinase, Bone morphogenetic protein receptor type-1B, Bone morphogenetic protein receptor type-2, Casein kinase II subunit alpha, Casein kinase II subunit alpha', Death-associated protein kinase 3, High affinity nerve growth factor receptor, Inhibitor of nuclear factor kappa-B kinase subunit epsilon, Leucine-rich repeat serine/threonine-protein kinase 2, MAP kinase-interacting serine/threonine-protein kinase 2, MAP/microtubule affinity-regulating kinase 3, MAP/microtubule affinity-regulating kinase 4, Macrophage colony-stimulating factor 1 receptor, Myosin light chain kinase 2, skeletal/cardiac muscle, NUAK family SNF1-like kinase 1, NUAK family SNF1-like kinase 2, Non-receptor tyrosine-protein kinase TYK2, Phosphatidylinositol 4-phosphate 5-kinase type-1 alpha, Receptor tyrosine-protein kinase erbB-2, Serine/threonine-protein kinase 16, Serine/threonine-protein kinase 17A, Serine/threonine-protein kinase 17B, Serine/threonine-protein kinase 32B, Serine/threonine-protein kinase NIM1, Serine/threonine-protein kinase PRP4 homolog, Serine/threonine-protein kinase SIK2, Serine/threonine-protein kinase TBK1, Serine/threonine-protein kinase ULK2, and Serine/threonine-protein kinase ULK3, Uniprot O00238, O43293, O60285, O75716, O94768, P04626, P04629, P07333, P19784, P27448, P29597, P68400, Q04771, Q13523, Q13873, Q14164, Q2M2I8, Q5S007, Q6PHR2, Q8IY84, Q8IYT8, Q96L34, Q99755, Q9H093, Q9H0K1, Q9H1R3, Q9HBH9, Q9NSY1, Q9NY57, Q9UEE5, and Q9UHD2
DOI: 10.7270/q24171xc
title: BindingDB Entry 50015306: Multifunctional Arylsulfone and Arylsulfonamide-Based Ligands with Prominent Mood-Modulating Activity and Benign Safety Profile, Targeting Neuropsychiatric Symptoms of Dementia.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, and D(2) dopamine receptor, Uniprot P14416, P28223, P34969, and P50406
DOI: 10.7270/q2086962
title: BindingDB Entry 50015307: Piperazine squaric acid diamides, a novel class of allosteric P2X7 receptor antagonists.

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q2vm4h5j
title: BindingDB Entry 50015309: Discovery and Optimization of Orally Bioavailable Phthalazone and Cinnolone Carboxylic Acid Derivatives as S1P2 Antagonists against Fibrotic Diseases.

description: Small molecule binding data for protein Cytochrome P450 4B1, Potassium voltage-gated channel subfamily H member 2, Sphingosine 1-phosphate receptor 1, and Sphingosine 1-phosphate receptor 2, Uniprot O95136, P13584, P21453, and Q12809
DOI: 10.7270/q2qv3rft
title: BindingDB Entry 50015310: Identification of (6S)-cyclopropyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamines as new HBV capsid assembly modulators.

description: Small molecule binding data for protein Capsid protein, Uniprot Q03732
DOI: 10.7270/q2m330pb
title: BindingDB Entry 50015311: Discovery of highly potent and selective EGFR

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2gb27zm
title: BindingDB Entry 50015312: Structural effects of morpholine replacement in ZSTK474 on Class I PI3K isoform inhibition: Development of novel MEK/PI3K bifunctional inhibitors.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P42336, P42338, P48736, and Q02750
DOI: 10.7270/q2bk1h8r
title: BindingDB Entry 50015313: Branched alkyl of phenyl 4-(2-oxo-3-alkylimidazolidin-1-yl)benzenesulfonates as unique cytochrome P450 1A1-activated antimitotic prodrugs: Biological evaluation and mechanism of bioactivation.

description: Small molecule binding data for protein Cytochrome P450 1A1, Uniprot P04798
DOI: 10.7270/q26t0rj1
title: BindingDB Entry 50015314: Modulation of Naturally Occurring Linear Dipeptide Chirality to Reduce the Affinity for Oligopeptide Transporter 1 and Increase Intestinal Stability for an Enhanced Colon-Targeting Effect in the Treatment of Inflammatory Bowel Disease: An Application of

description: Small molecule binding data for protein Solute carrier family 15 member 1, Uniprot P46059
DOI: 10.7270/q23200sj
title: BindingDB Entry 50015315: Discovery of novel TrkA allosteric inhibitors: Structure-based virtual screening, biological evaluation and preliminary SAR studies.

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor, High affinity nerve growth factor receptor, and NT-3 growth factor receptor, Uniprot P04629, Q16288, and Q16620
DOI: 10.7270/q2zc86sx
title: BindingDB Entry 50015317: Discovery of novel and orally bioavailable CDK 4/6 inhibitors with high kinome selectivity, low toxicity and long-acting stability for the treatment of multiple myeloma.

description: Small molecule binding data for protein Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-H/Cyclin-dependent kinase 7, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 4/G1/S-specific cyclin-D1, Cyclin-dependent kinase 6/G1/S-specific cyclin-D1, and Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1, Uniprot O60563, P06493, P11802, P14635, P20248, P24385, P24941, P50613, P50750, P51946, and Q00534
DOI: 10.7270/q2tm7g15
title: BindingDB Entry 50015318: Identification of MRTX1133, a Noncovalent, Potent, and Selective KRAS

description: Small molecule binding data for protein GTPase KRas, Uniprot P01116
DOI: 10.7270/q2pv6q80
title: BindingDB Entry 50015319: Synthesis, biological evaluation, and in silico studies of potential activators of apoptosis and carbonic anhydrase inhibitors on isatin-5-sulfonamide scaffold.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2k35zjk
title: BindingDB Entry 50015321: Development of novel phenoxyalkylpiperidines as high-affinity Sigma-1 (σ

description: Small molecule binding data for protein Sigma intracellular receptor 2 and Sigma non-opioid intracellular receptor 1, Uniprot Q5U3Y7 and Q60492
DOI: 10.7270/q2fb56t7
title: BindingDB Entry 50015323: Design, synthesis, and evaluation of potent RIPK1 inhibitors with in vivo anti-inflammatory activity.

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2 and Receptor-interacting serine/threonine-protein kinase 1, Uniprot Q12809 and Q13546
DOI: 10.7270/q29k4g4c
title: BindingDB Entry 50015325: The novel therapeutic strategy of vilazodone-donepezil chimeras as potent triple-target ligands for the potential treatment of Alzheimer's disease with comorbid depression.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, Acetylcholinesterase, Cholinesterase, Potassium voltage-gated channel subfamily H member 2, Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P08908, P21836, P22303, P23975, P28222, P31645, Q01959, Q03311, and Q12809
DOI: 10.7270/q25t3qdn
title: BindingDB Entry 50015326: Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.

description: Small molecule binding data for protein Aurora kinase B, Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK1/JAK3, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, and Vascular endothelial growth factor receptor 2, Uniprot O60674, P23458, P29597, P35968, P52333, and Q96GD4
DOI: 10.7270/q2251p2h
title: BindingDB Entry 50015327: Targeted Covalent Inhibition of Small CTD Phosphatase 1 to Promote the Degradation of the REST Transcription Factor in Human Cells.

description: Small molecule binding data for protein Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1, Uniprot Q9GZU7
DOI: 10.7270/q2xd15k6
title: BindingDB Entry 50015329: Discovery of a Series of Pyrimidine Carboxamides as Inhibitors of Vanin-1.

description: Small molecule binding data for protein Biotinidase, Caspase-1, Caspase-2, Caspase-3, Pantetheinase, Potassium voltage-gated channel subfamily H member 2, and Vanin 1, Uniprot O95497, P29466, P42574, P42575, P43251, Q12809, Q4KLZ0, and Q9Z0K8
DOI: 10.7270/q2sn0dvg
title: BindingDB Entry 50015330: Integrin-Mediated Targeted Cancer Therapy Using c(RGDyK)-Based Conjugates of Gemcitabine.

description: Small molecule binding data for protein Integrin alpha-V/beta-3, Uniprot P05106 and P06756