cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2571f7g
title: BindingDB Entry 50048971: A

description: Small molecule binding data for protein Adenosine receptor, Adenosine receptor A1, and Adenosine receptor A2, Uniprot P29274, P29275, and P30542
DOI: 10.7270/q27083kp
title: BindingDB Entry 50000106: Chromone as a Privileged Scaffold in Drug Discovery: Recent Advances.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] B, and Beta-secretase (BACE), Uniprot O42275, P27338, and P56817
DOI: 10.7270/q290260n
title: BindingDB Entry 50048970: A novel class ofa-glucosidase and HMG-CoA reductase inhibitors from Ganoderma leucocontextum and the anti-diabetic properties of ganomycin I in KK-A

description: Small molecule binding data for protein 3-hydroxy-3-methylglutaryl-coenzyme A reductase and Sucrase-isomaltase, Uniprot P23739 and Q1W675
DOI: 10.7270/q2br8v9q
title: BindingDB Entry 50000104: Potent and selective oxytocin receptor agonists without disulfide bridges.

description: Small molecule binding data for protein Oxytocin receptor and Vasopressin V1a receptor, Uniprot P30559 and P37288
DOI: 10.7270/q2dr2xq8
title: BindingDB Entry 50048969: Optimization of benzoquinone and hydroquinone derivatives as potent inhibitors of human 5-lipoxygenase.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Uniprot P09917
DOI: 10.7270/q2gh9m3b
title: BindingDB Entry 50000102: 4-Connected azabicyclo[5.3.0]decane Smac mimetics-Zn

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2, Uniprot Q13490
DOI: 10.7270/q2hh6n9m
title: BindingDB Entry 50048976: Novel ferulic amide derivatives with tertiary amine side chain as acetylcholinesterase and butyrylcholinesterase inhibitors: The influence of carbon spacer length, alkylamine and aromatic group.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P22303
DOI: 10.7270/q2jh3pdj
title: BindingDB Entry 50048968: Integrated bioinformatics, computational and experimental methods to discover novel Raf/extracellular-signal regulated kinase (ERK) dual inhibitors against breast cancer cells.

description: Small molecule binding data for protein MAP kinase ERK1 and RAF proto-oncogene serine/threonine-protein kinase, Uniprot P27361
DOI: 10.7270/q2m90bt6
title: BindingDB Entry 50000100: Discovery and optimization of selective FGFR4 inhibitors via scaffold hopping.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Epidermal growth factor receptor, Fibroblast growth factor receptor, Macrophage colony-stimulating factor 1 receptor, Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase TEC, VEGF-receptor 2 and Fibroblast growth factor receptor 1, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P00533, P05177, P07333, P08684, P10635, P11362, P11712, P22455, P33261, P35968, P42680, P52333, Q06187, and Q08881
DOI: 10.7270/q2r213jx
title: BindingDB Entry 50000098: Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands.

description: Small molecule binding data for protein Beta-secretase 1, Beta-secretase 2, and Cathepsin D, Uniprot P07339, P56817, and Q9Y5Z0
DOI: 10.7270/q2vt1v7h
title: BindingDB Entry 50000097: Synthesis and evaluation of 4,6-disubstituted pyrimidines as CNS penetrant pan-muscarinic antagonists with a novel chemotype.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2 and M4, Muscarinic acetylcholine receptor M3, and Muscarinic acetylcholine receptor M4, Uniprot P08172, P08173, P08485, P08912, P11229, and P20309
DOI: 10.7270/q2ws8wh4
title: BindingDB Entry 50048973: Treatment of estrogen-dependent diseases: Design, synthesis and profiling of a selective 17ß-HSD1 inhibitor with sub-nanomolar IC

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 1 and Estradiol 17-beta-dehydrogenase 2, Uniprot P14061
DOI: 10.7295/w9cil50729
title: CIL:50729, Drosophila melanogaster, L1 larval brain
DOI: 10.7270/q20k2bt4
title: BindingDB Entry 50048980: Ring-opened tetrahydro-¿-carbolines display cytotoxicity and selectivity with histone deacetylase isoforms.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, and Histone deacetylase 6, Uniprot A0A024QZ26, Q13547, Q92769, and Q9UBN7
DOI: 10.7270/q22b915r
title: BindingDB Entry 50000119: Identification and Characterization of the First Selective Y

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Neuropeptide Y receptor type 4, and Neuropeptide Y receptor type 5, Uniprot P25929, P49146, P50391,P0DQD5, and Q15761
DOI: 10.7270/q24b33jv
title: BindingDB Entry 50048979: Ostalactones A-C,ß- ande-Lactones with Lipase Inhibitory Activity from the Cultured Basidiomycete Stereum ostrea.

description: Small molecule binding data for protein Pancreatic lipase, Uniprot P16233
DOI: 10.7270/q26112g9
title: BindingDB Entry 50000118: Structural Basis of Wee Kinases Functionality and Inactivation by Diverse Small Molecule Inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1, Serine/threonine-protein kinase WEE1, Tyrosine- and threonine-specific cdc2-inhibitory kinase, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, and Wee1-like protein kinase 2, Uniprot O60674, P0C1S8, P30291, P52333, P53350, and Q99640
DOI: 10.7270/q28054vv
title: BindingDB Entry 50048978: Structural Basis for Potency and Promiscuity in Poly(ADP-ribose) Polymerase (PARP) and Tankyrase Inhibitors.

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10), Human diphtheria toxin-like ADP-ribosyltransferase (ARTD4 or PARP4), Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15), Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14), Mono [ADP-ribose] polymerase PARP16, PARP 1, 2 and 3, Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 12, Poly [ADP-ribose] polymerase 3, and Tankyrase 1/2, Uniprot O95271, P09874, Q460N3, Q460N5, Q53GL7, Q8N5Y8, Q9H0J9, Q9H2K2, Q9UGN5, Q9UKK3, and Q9Y6F1
DOI: 10.7270/q29s1t5w
title: BindingDB Entry 50000117: Peptide Half-Life Extension: Divalent, Small-Molecule Albumin Interactions Direct the Systemic Properties of Glucagon-Like Peptide 1 (GLP-1) Analogues.

description: Small molecule binding data for protein Glucagon-like peptide 1 receptor and Serum albumin, Uniprot P02768 and P43220
DOI: 10.7270/q2cr5wkw
title: BindingDB Entry 50048977: Design, synthesis, docking and QSAR study of substituted benzimidazole linked oxadiazole as cytotoxic agents, EGFR and erbB2 receptor inhibitors.

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/q2fj2jw6
title: BindingDB Entry 50000116: Discovery of a para-Acetoxy-benzyl Ester Prodrug of a Hydroxamate-Based Glutamate Carboxypeptidase II Inhibitor as Oral Therapy for Neuropathic Pain.

description: Small molecule binding data for protein Glutamate carboxypeptidase II, Uniprot Q04609
DOI: 10.7270/q2gh9m6p
title: BindingDB Entry 50048984: Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Monoamine oxidase, Uniprot P19643, P21396, P21397, and P27338
DOI: 10.7270/q2k939nc
title: BindingDB Entry 50000115: Design, Synthesis, and Pharmacological Evaluation of Novel Multisubstituted Pyridin-3-amine Derivatives as Multitargeted Protein Kinase Inhibitors for the Treatment of Non-Small Cell Lung Cancer.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Cyclin-dependent kinase 1/G1/S-specific cyclin-D1, Cyclin-dependent kinase 4, Cyclin-dependent kinase 6, Discoidin domain-containing receptor 2, Ephrin receptor, Epidermal growth factor receptor, Fibroblast growth factor receptor, Hepatocyte growth factor receptor, Insulin receptor, Insulin-like growth factor I receptor, Leukocyte tyrosine kinase receptor, Mast/stem cell growth factor receptor Kit, Mitogen-activated protein kinase 1, Platelet-derived growth factor receptor, Proto-oncogene tyrosine-protein kinase ROS, 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, Tyrosine-protein kinase Mer, Tyrosine-protein kinase receptor TYRO3, Tyrosine-protein kinase receptor UFO, VEGF-receptor 2 and Fibroblast growth factor receptor 1, VEGF-receptor 2 and Fibroblast growth factor receptor 2, VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), Vascular endothelial growth factor receptor 1, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot L7RSL3, P00519, P00533, P04626, P06213, P06493, P07949, P08069, P08581, P08922, P09619, P10721, P11362, P11802, P12931, P16234, P17948, P21802, P22455, P22607, P28482, P29317, P29376, P30530, P35968, Q00534, Q06418, Q12866, Q15303, Q16832, and Q9UM73
DOI: 10.7270/q2n87d1b
title: BindingDB Entry 50048975: Importance of 5/6-aryl substitution on the pharmacological profile of 4'-((2-propyl-1H-benzo[d]imidazol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid derived PPAR¿ agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q2q242c3
title: BindingDB Entry 50000111: Design, Synthesis, and Evaluation of New Selective NM23-H2 Binders as c-MYC Transcription Inhibitors via Disruption of the NM23-H2/G-Quadruplex Interaction.

description: Small molecule binding data for protein Nucleoside diphosphate kinase B, Uniprot P22392
DOI: 10.7270/q2r213mt
title: BindingDB Entry 50048982: A Macrocyclic Agouti-Related Protein/[Nle

description: Small molecule binding data for protein Melanocortin receptor (M3 and M4), Melanocortin receptor (M4 and M5), Melanocortin receptor 1, Melanocortin receptor 3, Melanocortin receptor 4, and Melanocortin receptor 5, Uniprot P32245, P33032, P33033, P41149, P41968, P56450, and Q01727
DOI: 10.7270/q2s184rn
title: BindingDB Entry 50048974: An insight on synthetic and medicinal aspects of pyrazolo[1,5-a]pyrimidine scaffold.

description: Small molecule binding data for protein Benzodiazepine receptors; peripheral & central, Corticotropin releasing factor receptor 1, Cyclooxygenase, GABA A receptor alpha-2/beta-2/gamma-2, GABA A receptor alpha-5/beta-3/gamma-2, Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1), Gamma-aminobutyric acid receptor subunit alpha-3, Prostaglandin E synthase/G/H synthase 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P16257, P19969, P20236, P23219, P23576, P34998, P35354, P35968, and P62813
DOI: 10.7270/q2tt4t34
title: BindingDB Entry 50000110: Glucuronides as Potential Anionic Substrates of Human Cytochrome P450 2C8 (CYP2C8).

description: Small molecule binding data for protein Cytochrome P450 1A and Cytochrome P450 2C8, Uniprot P05177 and P10632
DOI: 10.7270/q2vt1vbv
title: BindingDB Entry 50048981: Model-Based Discovery of Synthetic Agonists for the Zn

description: Small molecule binding data for protein G-protein coupled receptor 39, Uniprot O43194 and Q5U431
DOI: 10.7270/q2zk5js0
title: BindingDB Entry 50000108: Design and Synthesis ofγ- andδ-Lactam M

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M1/M5 chimeric protein, Muscarinic acetylcholine receptor M2 and M4, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, and Phosphodiesterase 11A, Uniprot P08172, P08173, P08912, P11229, P20309, and Q9HCR9
DOI: 10.7295/w9cil50730
title: CIL:50730, Drosophila melanogaster, L1 larval brain
DOI: 10.7295/w9cil50731
title: CIL:50731, Drosophila melanogaster, L1 larval brain
DOI: 10.7270/q21c202c
title: BindingDB Entry 50000130: Highly Potent and Selective New Diphenethylamines Interacting with theκ-Opioid Receptor: Synthesis, Pharmacology, and Structure-Activity Relationships.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q23b62c1
title: BindingDB Entry 50048987: Synthesis and biological evaluation of a water-soluble phosphate prodrug salt and structural analogues of KGP94, a lead inhibitor of cathepsin L.

description: Small molecule binding data for protein Cathepsin (B and K) and Cathepsin (L and K), Uniprot P07711 and P07858
DOI: 10.7270/q2542qrv
title: BindingDB Entry 50000127: Blockade of Asparagine Endopeptidase Inhibits Cancer Metastasis.

description: Small molecule binding data for protein Caspase, Caspase-3, Cathepsin S, and Legumain, Uniprot P25774, P42574, Q14790, and Q99538
DOI: 10.7270/q2736t4t
title: BindingDB Entry 50048986: Positional isomers of bispyridine benzene derivatives induce efficacy changes on mGlu

description: Small molecule binding data for protein Metabotropic glutamate receptor and Metabotropic glutamate receptor 5, Uniprot P31424 and P41594
DOI: 10.7270/q28w3gft
title: BindingDB Entry 50000126: Identification of a New Zinc Binding Chemotype by Fragment Screening.

description: Small molecule binding data for protein Carbonic anhydrases; II & IX, Uniprot P00918
DOI: 10.7270/q2br8vfh
title: BindingDB Entry 50048985: Discovery of 7-(3-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine derivatives as highly potent and selective PI3Kd 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 delta isoform/gamma isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, O35904, P42336, P42338, and P48736
DOI: 10.7270/q2dj5hs8
title: BindingDB Entry 50000125: Discovery and Characterization of (R)-6-Neopentyl-2-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[2,1-c][1,4]oxazin-4(9H)-one (PF-06462894), an Alkyne-Lacking Metabotropic Glutamate Receptor 5 Negative Allosteric Modulator Profiled in both Rat and Nonhuman Primates.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Metabotropic glutamate receptor 5, and Mu-type opioid receptor, Uniprot P31424, P35372, and P41594
DOI: 10.7270/q2j968h0
title: BindingDB Entry 50000123: Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.

description: Small molecule binding data for protein Heat shock protein 75 kDa, mitochondrial and Heat shock protein HSP90, Uniprot P07900 and Q12931
DOI: 10.7270/q2k939rq
title: BindingDB Entry 50048991: Structure-based design and SAR development of 5,6-dihydroimidazolo[1,5-f]pteridine derivatives as novel Polo-like kinase-1 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C8, Cytochrome P450 3A, and Serine/threonine-protein kinase PLK1, Uniprot P08684, P10632, and P53350
DOI: 10.7270/q2m90bw3
title: BindingDB Entry 50048983: Design and synthesis of new RAF kinase-inhibiting antiproliferative quinoline derivatives. Part 2: Diarylurea derivatives.

description: Small molecule binding data for protein RAF proto-oncogene serine/threonine-protein kinase and RAF serine/threonine protein kinase, Uniprot P15056
DOI: 10.7270/q2p27185
title: BindingDB Entry 50000122: Dipicolinic Acid Derivatives as Inhibitors of New Delhi Metallo-β-lactamase-1.

description: Small molecule binding data for protein Metallo-beta-lactamase VIM-2 (VIM-2) and Metallo-beta-lactamase type 2, Uniprot P52699
DOI: 10.7270/q2q242f0
title: BindingDB Entry 50048990: Discovery of AAT-008, a novel, potent, and selective prostaglandin EP4 receptor antagonist.

description: Small molecule binding data for protein Prostaglandin E receptor 4, Prostaglandin E2 receptor, Prostaglandin E2 receptor EP4 subtype, Prostaglandin F2-alpha receptor, Prostanoid EP4 receptor, Prostanoid IP receptor, and Thromboxane A2 receptor, Uniprot P21731, P34995, P35408, P43088, P43114, P43115, P43116, P43119, and Q9TU16
DOI: 10.7270/q2rv0qvz
title: BindingDB Entry 50000133: Design, Synthesis, and Biological Evaluation of Novel Type I

description: Small molecule binding data for protein Mitogen-activated protein kinase 14
DOI: 10.7270/q2st7s06
title: BindingDB Entry 50000121: Structure-Affinity Relationships and Structure-Kinetics Relationships of Pyrido[2,1-f]purine-2,4-dione Derivatives as Human Adenosine A

description: Small molecule binding data for protein Adenosine receptor, Uniprot P0DMS8
DOI: 10.7270/q2tt4t51
title: BindingDB Entry 50048989: The juxtamembrane region of TrkA kinase is critical for inhibitor selectivity.

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/q2wm1gkp
title: BindingDB Entry 50000131: 5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)-4-(trifluoromethyl)pyridin-2-amine (PQR309), a Potent, Brain-Penetrant, Orally Bioavailable, Pan-Class I PI3K/mTOR Inhibitor as Clinical Candidate in Oncology.

description: Small molecule binding data for protein DNA-dependent protein kinase, Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR, Phosphatidylinositol 3-kinase catalytic subunit type 3, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Phosphatidylinositol 4-kinase beta, Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta, and p110α/p85α, Uniprot O00329, O00750, P27986, P42336, P42338, P42345, P48736, Q8NEB9, and Q9UBF8
DOI: 10.7270/q2xk8hqh
title: BindingDB Entry 50000120: Polypharmacology of N

description: Small molecule binding data for protein Adenosine receptor, Adenosine receptor A1/Alpha-2A adrenergic receptor, Adenosine receptors; A1 & A2a, Peroxisome proliferator-activated receptor, and Peroxisome proliferator-activated receptor delta, Uniprot P0DMS8, P29274, P30542, P37231, Q03181, and Q07869
DOI: 10.7270/q2zk5jwb
title: BindingDB Entry 50048988: Exploration of phenylpropanoic acids as agonists of the free fatty acid receptor 4 (FFA4): Identification of an orally efficacious FFA4 agonist.

description: Small molecule binding data for protein Free fatty acid receptor 1, Free fatty acid receptor 2, Free fatty acid receptor 3, Free fatty acid receptor 4, G-protein coupled receptor 120, and Omega-3 fatty acid receptor 1, Uniprot O14842, O14843, O15552, Q2AC31, Q5NUL3, Q76JU9, Q7TMA4, and Q8K3T4
DOI: 10.7270/q20c4xx6
title: BindingDB Entry 50000140: Sulfonium as a Surrogate for Ammonium: A Newα7 Nicotinic Acetylcholine Receptor Partial Agonist with Desensitizing Activity.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit and Neuronal acetylcholine receptor subunit alpha-7, Uniprot P17787, P36544, and P43681
DOI: 10.7270/q22b9183
title: BindingDB Entry 50048995: Parallel fluorescent probe synthesis based on the large-scale preparation of BODIPY FL propionic acid.

description: Small molecule binding data for protein Estrogen-related receptor alpha, Uniprot P11474
DOI: 10.7270/q2445pnx
title: BindingDB Entry 50000139: Novel Inhibitors of Staphyloxanthin Virulence Factor in Comparison with Linezolid and Vancomycin versus Methicillin-Resistant, Linezolid-Resistant, and Vancomycin-Intermediate Staphylococcus aureus Infections in Vivo.

description: Small molecule binding data for protein Dehydrosqualene desaturase and Potassium voltage-gated channel subfamily H member 2, Uniprot O07855 and Q12809
DOI: 10.7270/q2639s0f
title: BindingDB Entry 50048994: Physapubescin, a natural withanolide as a kidney-type glutaminase (KGA) inhibitor.

description: Small molecule binding data for protein Glutaminase kidney isoform, mitochondrial, Uniprot O94925
DOI: 10.7270/q27w6fbw
title: BindingDB Entry 50000138: Discovery of Novel Macrocyclic Hedgehog Pathway Inhibitors Acting by Suppressing the Gli-Mediated Transcription.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q29w0hq0
title: BindingDB Entry 50048993: Piceatannol, a natural trans-stilbene compound, inhibits human glyoxalase I.

description: Small molecule binding data for protein Glyoxalase I, Uniprot Q04760
DOI: 10.7270/q2cn7615
title: BindingDB Entry 50000137: Structure-Activity Relationships of Potent, Targeted Covalent Inhibitors That Abolish Both the Transamidation and GTP Binding Activities of Human Tissue Transglutaminase.

description: Small molecule binding data for protein Protein-glutamine gamma-glutamyltransferase 2 (TG2), Uniprot P21980
DOI: 10.7270/q2fj2k1d
title: BindingDB Entry 50048992: Design and synthesis of a novel series of 4-heteroarylamino-1'-azaspiro[oxazole-5,3'-bicyclo[2.2.2]octanes asa7 nicotinic receptor agonists 2. Development of 4-heteroaryl SAR.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 3A, Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit, Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon, and Potassium voltage-gated channel subfamily H member 2, Uniprot P02708, P11230, P17787, P30926, P32297, P43681, P46098, Q04844, Q05941, Q07001, and Q12809
DOI: 10.7270/q2gf0wnq
title: BindingDB Entry 50000145: Discovery, Structure-Activity Relationship, and Antiparkinsonian Effect of a Potent and Brain-Penetrant Chemical Series of Positive Allosteric Modulators of Metabotropic Glutamate Receptor 4.

description: Small molecule binding data for protein Metabotropic glutamate receptor and Metabotropic glutamate receptor 4, Uniprot P31423 and Q14833
DOI: 10.7270/q2h997cm
title: BindingDB Entry 50000135: Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).

description: Small molecule binding data for protein Ketohexokinase, Uniprot P50053 and Q02974
DOI: 10.7270/q2m32xx8
title: BindingDB Entry 50000144: Development of (4-Cyanophenyl)glycine Derivatives as Reversible Inhibitors of Lysine Specific Demethylase 1.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Lysine-specific histone demethylase 1A, Uniprot O60341 and P40989
DOI: 10.7270/q2n3003w
title: BindingDB Entry 50000134: A Dual Modulator of Farnesoid X Receptor and Soluble Epoxide Hydrolase To Counter Nonalcoholic Steatohepatitis.

description: Small molecule binding data for protein Bile acid receptor, Epoxide hydratase, and Peroxisome proliferator-activated receptor, Uniprot P34913, P37231, and Q96RI1
DOI: 10.7270/q2p271ch
title: BindingDB Entry 50048998: 3,4-Dihydroquinazoline derivatives inhibit the activities of cholinesterase enzymes.

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