cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.22132251.v1
title: Comparison of toxicity and cellular responses following pulmonary exposure to different types of nanofibers

description: Pulmonary effects of inhaled microfibers are an emerging public health concern. In this study, we investigated toxicity following pulmonary exposure to synthetic polyethylene oxide fibroin (PEONF) and silk fibroin (SFNF) nanofibers and the cellular responses. When instilled intratracheally weekly for four weeks, body weight gain was significantly reduced in female mice exposed to the higher dose of SFNF when compared with the control group. The total number of cells in the lungs was more significant in all treated groups than in the control, whereas the relative portion of neutrophils and eosinophils increased significantly only in female mice exposed to SFNF. Both types of nanofibers induced notable pathological changes and increased pulmonary expression of MCP-1α, CXCL1, and TGF-β. More importantly, blood calcium, creatinine kinase, sodium, and chloride concentration were affected significantly, showing sex- and material-dependent differences. The relative portion of eosinophils increased only in SFNF-treated mice. In addition, both types of nanofibers induced necrotic and late apoptotic cell death in alveolar macrophages after 24 h of exposure, with accompanying oxidative stress, increased NO production, cell membrane rupture, intracellular organelle damage, and intracellular calcium accumulation. Additionally, multinucleated giant cells were formed in cells exposed to PEONF or SFNF. Taken together, the findings indicate that inhaled PEONF and SFNF may cause systemic adverse health effects with lung tissue damage, showing differences by sex- and material. Furthermore, PEONF- and SFNF-induced inflammatory response may be partly due to the low clearance of dead (or damaged) pulmonary cells and the excellent durability of PEONF and SFNF.
DOI: 10.7270/q2gf0xz5
title: BindingDB Entry 50009535: New Generation of Selective Androgen Receptor Degraders: Our Initial Design, Synthesis, and Biological Evaluation of New Compounds with Enzalutamide-Resistant Prostate Cancer Activity.

description: Small molecule binding data for protein Androgen receptor, Uniprot P10275
DOI: 10.6084/m9.figshare.22132251
title: Comparison of toxicity and cellular responses following pulmonary exposure to different types of nanofibers

description: Pulmonary effects of inhaled microfibers are an emerging public health concern. In this study, we investigated toxicity following pulmonary exposure to synthetic polyethylene oxide fibroin (PEONF) and silk fibroin (SFNF) nanofibers and the cellular responses. When instilled intratracheally weekly for four weeks, body weight gain was significantly reduced in female mice exposed to the higher dose of SFNF when compared with the control group. The total number of cells in the lungs was more significant in all treated groups than in the control, whereas the relative portion of neutrophils and eosinophils increased significantly only in female mice exposed to SFNF. Both types of nanofibers induced notable pathological changes and increased pulmonary expression of MCP-1α, CXCL1, and TGF-β. More importantly, blood calcium, creatinine kinase, sodium, and chloride concentration were affected significantly, showing sex- and material-dependent differences. The relative portion of eosinophils increased only in SFNF-treated mice. In addition, both types of nanofibers induced necrotic and late apoptotic cell death in alveolar macrophages after 24 h of exposure, with accompanying oxidative stress, increased NO production, cell membrane rupture, intracellular organelle damage, and intracellular calcium accumulation. Additionally, multinucleated giant cells were formed in cells exposed to PEONF or SFNF. Taken together, the findings indicate that inhaled PEONF and SFNF may cause systemic adverse health effects with lung tissue damage, showing differences by sex- and material. Furthermore, PEONF- and SFNF-induced inflammatory response may be partly due to the low clearance of dead (or damaged) pulmonary cells and the excellent durability of PEONF and SFNF.
DOI: 10.7270/q2gf0z01
title: BindingDB Entry 50010134: Identification of the 2-Benzoxazol-2-yl-phenol Scaffold as New Hit for JMJD3 Inhibition.

description: Small molecule binding data for protein Lysine-specific demethylase 6A and Lysine-specific demethylase 6B, Uniprot O15054 and O15550
DOI: 10.7270/q2gf0z1g
title: BindingDB Entry 50010712: Blocking the CGRP Pathway for Acute and Preventive Treatment of Migraine: The Evolution of Success.

description: Small molecule binding data for protein Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1, Uniprot O60894 and Q16602
DOI: 10.7270/q2gf0z2x
title: BindingDB Entry 50011054: Exploration of TRPM8 Binding Sites by β-Carboline-Based Antagonists and Their In Vitro Characterization and In Vivo Analgesic Activities.

description: Small molecule binding data for protein Sodium channel protein type 9 subunit alpha and Transient receptor potential cation channel subfamily M member 8, Uniprot Q15858, Q7Z2W7, and Q8R455
DOI: 10.7270/q2gf0z3c
title: BindingDB Entry 50011343: TBA

description: Small molecule binding data for protein Tubulin beta-3 chain, Uniprot Q13509
DOI: 10.7270/q2gf0z4t
title: BindingDB Entry 50011679: Potential of Cyclin-Dependent Kinase Inhibitors as Cancer Therapy.

description: Small molecule binding data for protein Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Cyclin-dependent kinase 4/G1/S-specific cyclin-D3, and Cyclin-dependent kinase 6/G1/S-specific cyclin-D1, Uniprot P11802, P24385, P24864, P24941, P30281, and Q00534
DOI: 10.7270/q2gf0z58
title: BindingDB Entry 50011983: Structure-based Discovery of Cell-Potent Peptidomimetic Inhibitors for Protein N-Terminal Methyltransferase 1.

description: Small molecule binding data for protein N-terminal Xaa-Pro-Lys N-methyltransferase 1, Uniprot Q9BV86
DOI: 10.7270/q2gf0z6q
title: BindingDB Entry 50012298: Design, synthesis and molecular docking study of α-triazolylsialosides as non-hydrolyzable and potent CD22 ligands.

description: Small molecule binding data for protein B-cell receptor CD22 and Myelin-associated glycoprotein, Uniprot P20273 and P20916
DOI: 10.7270/q2gf0z75
title: BindingDB Entry 50012927: Design, Synthesis, and X-ray Studies of Potent HIV-1 Protease Inhibitors with P2-Carboxamide Functionalities.

description: Small molecule binding data for protein Gag-Pol polyprotein [489-587], Uniprot P04585
DOI: 10.7270/q2gf0z8m
title: BindingDB Entry 50013567: Insertion of metal carbenes into the anilinic N-H bond of unprotected aminobenzenesulfonamides delivers low nanomolar inhibitors of human carbonic anhydrase IX and XII isoforms.

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/q2gf0z92
title: BindingDB Entry 50014237: Discovery of

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Aurora kinase A, Cyclin-dependent kinase 2, Cytochrome P450 1A2, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Cytochrome P450 3A5, Mitogen-activated protein kinase 9, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Protein kinase C eta type, Protein kinase C theta type, RAC-alpha serine/threonine-protein kinase, RAC-beta serine/threonine-protein kinase, RAC-gamma serine/threonine-protein kinase, Rho-associated protein kinase 1, Ribosomal protein S6 kinase alpha-1, Ribosomal protein S6 kinase alpha-5, Ribosomal protein S6 kinase beta-1, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase Sgk1, Testis-specific serine/threonine-protein kinase 1, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase JAK2, and [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Uniprot O00141, O14757, O14965, O60674, O75582, P00519, P05177, P08684, P10632, P10635, P11712, P20815, P23443, P24723, P24941, P31749, P31751, P42336, P45984, Q04759, Q13464, Q15118, Q15418, Q9BXA7, Q9UM73, and Q9Y243
DOI: 10.34740/kaggle/dsv/5062819
title: Nifty-50 & Nifty Future 50 Dataset
DOI: 10.7270/q2gf0zbh
title: BindingDB Entry 50014593: Cannabidiol Protects Human Skin Keratinocytes from Hydrogen-Peroxide-Induced Oxidative Stress via Modulation of the Caspase-1-IL-1β Axis.

description: Small molecule binding data for protein Caspase-1, Uniprot P29466
DOI: 10.7270/q2gh9n1v
title: BindingDB Entry 9406: Octahydropyrrolopyrroles their preparation and use

description: Small molecule binding data for protein Retinol-binding protein 4, Uniprot P02753
DOI: 10.7270/q2gh9n29
title: BindingDB Entry 9793: Inhibiting agents for Bruton's tyrosine kinase

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2gh9n3r
title: BindingDB Entry 10180: Inhibitors of glucocorticoid receptor

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q2gh9n46
title: BindingDB Entry 10389: Histone demethylase inhibitors

description: Small molecule binding data for protein Lysine-specific demethylase 4C, Lysine-specific demethylase 5A, and Lysine-specific demethylase 5B, Uniprot P29375, Q9H3R0, and Q9UGL1
DOI: 10.7270/q2gh9n5n
title: BindingDB Entry 10567: Treatment of GVHD

description: Small molecule binding data for protein Rho-associated protein kinase 1 and Rho-associated protein kinase 2, Uniprot O75116 and Q13464
DOI: 10.7270/q2gh9n63
title: BindingDB Entry 10776: Substituted pyrrolopyridines as JAK inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, and Tyrosine-protein kinase JAK3 [781-1124], Uniprot O60674, P23458, and P52333
DOI: 10.7270/q2gh9n7j
title: BindingDB Entry 50007000: Discovery of Small Molecule Renal Outer Medullary Potassium (ROMK) Channel Inhibitors: A Brief History of Medicinal Chemistry Approaches To Develop Novel Diuretic Therapeutics.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, ATP-sensitive inward rectifier potassium channel 1, and G protein-activated inward rectifier potassium channel 4, Uniprot P35560, P40989, P48048, and P48544
DOI: 10.7270/q2gh9n80
title: BindingDB Entry 50007614: Inhibition of the Cytolytic Protein Perforin Prevents Rejection of Transplanted Bone Marrow Stem Cells in Vivo.

description: Small molecule binding data for protein Perforin-1, Uniprot P14222
DOI: 10.7270/q2gh9n9f
title: BindingDB Entry 50008218: Design, synthesis, in-silico and biological evaluation of novel chalcone derivatives as multi-function agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Cholinesterase, Uniprot O42275, P21397, P27338, and P81908
DOI: 10.7270/q2gh9nbw
title: BindingDB Entry 50008866: Dual functional cholinesterase and PDE4D inhibitors for the treatment of Alzheimer's disease: Design, synthesis and evaluation of tacrine-pyrazolo[3,4-b]pyridine hybrids.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot O42275, P81908, and Q08499
DOI: 10.7270/q2gh9ncb
title: BindingDB Entry 50009195: Optimizing TRPM4 inhibitors in the MHFP6 chemical space.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily M member 4, Uniprot Q8TD43
DOI: 10.7270/q2gh9nds
title: BindingDB Entry 50009482: Identification of a new small molecule chemotype of Melanin Concentrating Hormone Receptor-1 antagonists using pharmacophore-based virtual screening.

description: Small molecule binding data for protein Melanin-concentrating hormone receptor 1, Uniprot Q99705
DOI: 10.7270/q2gh9nf7
title: BindingDB Entry 50009818: Uncoupling the Structure-Activity Relationships of β2 Adrenergic Receptor Ligands from Membrane Binding.

description: Small molecule binding data for protein Beta-2 adrenergic receptor, Uniprot P07550
DOI: 10.7270/q2gh9ngp
title: BindingDB Entry 50010394: Discovery and Optimization of Glucose Uptake Inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Solute carrier family 2, facilitated glucose transporter member 1, and Solute carrier family 2, facilitated glucose transporter member 3, Uniprot P11166, P11169, and P40989
DOI: 10.7270/q2gh9nh4
title: BindingDB Entry 50011008: Development of a new class of liver receptor homolog-1 (LRH-1) agonists by photoredox conjugate addition.

description: Small molecule binding data for protein Nuclear receptor subfamily 5 group A member 2, Uniprot O00482
DOI: 10.7270/q2gh9njk
title: BindingDB Entry 50011627: Switching a Xanthine Oxidase Inhibitor to a Dual-Target Antagonist of P2Y

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A4, P2Y purinoceptor 12, and Xanthine dehydrogenase/oxidase, Uniprot P05177, P05181, P08684, P10635, P11509, P11712, P33261, P80457, and Q9H244
DOI: 10.7270/q2gh9nk1
title: BindingDB Entry 50012250: Identification of novel quinoline analogues bearing thiazolidinones as potent kinase inhibitors for the treatment of colorectal cancer.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Insulin-like growth factor 1 receptor, Macrophage-stimulating protein receptor, Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor alpha, Proto-oncogene tyrosine-protein kinase Src, Serine/threonine-protein kinase B-raf, and Tyrosine-protein kinase receptor UFO, Uniprot P08069, P08581, P10721, P12931, P15056, P16234, P30530, and Q04912
DOI: 10.7270/q2gh9nmg
title: BindingDB Entry 50012598: An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases.

description: Small molecule binding data for protein Dual specificity protein kinase CLK1, Dual specificity protein kinase CLK2, Dual specificity protein kinase CLK3, Dual specificity protein kinase CLK4, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Dual specificity tyrosine-phosphorylation-regulated kinase 1B, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Dual specificity tyrosine-phosphorylation-regulated kinase 3, Dual specificity tyrosine-phosphorylation-regulated kinase 4, Glycogen synthase kinase-3 alpha, and Glycogen synthase kinase-3 beta, Uniprot O43781, P49759, P49760, P49761, P49840, P49841, Q13627, Q92630, Q9HAZ1, Q9NR20, and Q9Y463
DOI: 10.7270/q2gh9nnx
title: BindingDB Entry 50012881: SAR study of bisamides as cyclophilin a inhibitors for the development of host-targeting therapy for hepatitis C virus infection.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase A, Uniprot P62937
DOI: 10.7270/q2gh9npc
title: BindingDB Entry 50013234: The Discovery, Preclinical, and Early Clinical Development of Potent and Selective GPR40 Agonists for the Treatment of Type 2 Diabetes Mellitus (LY2881835, LY2922083, and LY2922470).

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Free fatty acid receptor 1, Melanocortin receptor 4, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, and Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha, Uniprot O14842, P19793, P37231, P40989, P70596, Q03181, Q07869, and Q76JU9
DOI: 10.7270/q2gh9nqt
title: BindingDB Entry 50013873: Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective β-Secretase (BACE1) Inhibitors over BACE2.

description: Small molecule binding data for protein Beta-secretase 1 and Beta-secretase 2, Uniprot P56817, Q9JL18, and Q9Y5Z0
DOI: 10.7270/q2gh9nr8
title: BindingDB Entry 50014526: Discovery of hydrazide-containing oseltamivir analogues as potent inhibitors of influenza A neuraminidase.

description: Small molecule binding data for protein Neuraminidase, Uniprot B4URF0 and P03468
DOI: 10.7270/q2gm8bbt
title: BindingDB Entry 9197: Compounds for inhibiting AGC kinase and pharmaceutical compositions comprising the same

description: Small molecule binding data for protein Rho-associated protein kinase 1 and Rho-associated protein kinase 2, Uniprot O75116 and Q13464
DOI: 10.7270/q2gm8bc8
title: BindingDB Entry 9375: Sulfonylcycloalkyl carboxamide compounds

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily A member 1, Uniprot O75762
DOI: 10.7270/q2gm8bdq
title: BindingDB Entry 9584: Opioid agonists and uses thereof

description: Small molecule binding data for protein Kappa-type opioid receptor and Mu-type opioid receptor, Uniprot P35372 and P41145
DOI: 10.7270/q2gm8bf5
title: BindingDB Entry 9971: Methods to determine KDM1A target engagement and chemoprobes useful therefor

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2gm8bgm
title: BindingDB Entry 10358: DIHYDROOROTATE DEHYDROGENASE INHIBITORS

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot Q02127
DOI: 10.7270/q2gm8bh2
title: BindingDB Entry 10745: Antibacterial compounds

description: Small molecule binding data for protein UDP-3-O-acyl-N-acetylglucosamine deacetylase, Uniprot P0A725
DOI: 10.7270/q2gm8bjh
title: BindingDB Entry 50006676: Discovery of Selective M4 Muscarinic Acetylcholine Receptor Agonists with Novel Carbamate Isosteres.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M2 and Muscarinic acetylcholine receptor M4, Uniprot P08172 and P08173
DOI: 10.7270/q2gm8bkz
title: BindingDB Entry 50006947: Modulation of Tropomyosin Receptor Kinase for the Treatment of Neurotrophin Diseases: Alzheimer's, Huntington's and Parkinson's.

description: Small molecule binding data for protein BDNF/NT-3 growth factors receptor, Fibroblast growth factor receptor 1, High affinity nerve growth factor receptor, Insulin-like growth factor 1 receptor, and NT-3 growth factor receptor, Uniprot P04629, P08069, P11362, Q16288, and Q16620
DOI: 10.7270/q2gm8bmd
title: BindingDB Entry 50007268: Development of posaconazole-based analogues as hedgehog signaling pathway inhibitors.

description: Small molecule binding data for protein Cytochrome P450 3A4, Uniprot P08684
DOI: 10.7270/q2gm8bnv
title: BindingDB Entry 50007559: Synthesis and SAR development of quinoline analogs as novel P2X7 receptor antagonists.

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q64663, Q99572, and Q9Z1M0
DOI: 10.7270/q2gm8bp9
title: BindingDB Entry 50007874: Synthesis of novel galeterone derivatives and evaluation of their in vitro activity against prostate cancer cell lines.

description: Small molecule binding data for protein Androgen receptor, Uniprot P10275
DOI: 10.7270/q2gm8bqr
title: BindingDB Entry 50008483: Discovery of Nonpungent Transient Receptor Potential Vanilloid 1 (TRPV1) Agonist as Strong Topical Analgesic.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot O35433 and Q8NER1
DOI: 10.7270/q2gm8br6
title: BindingDB Entry 50009138: Design, synthesis and biological evaluation of benzamide derivatives as novel NTCP inhibitors that induce apoptosis in HepG2 cells.

description: Small molecule binding data for protein Sodium/bile acid cotransporter, Uniprot Q14973
DOI: 10.7270/q2gm8bsn
title: BindingDB Entry 50009772: Optimization of a Benzoylpiperidine Class Identifies a Highly Potent and Selective Reversible Monoacylglycerol Lipase (MAGL) Inhibitor.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, Fatty-acid amide hydrolase 1, Lysophosphatidylserine lipase ABHD12, Monoacylglycerol lipase ABHD6, and Monoglyceride lipase, Uniprot O00519, O35678, P21554, P34972, Q8N2K0, Q99685, and Q9BV23
DOI: 10.7270/q2gm8bt3
title: BindingDB Entry 50010094: Optimisation of a novel series of potent and orally bioavailable azanaphthyridine SYK inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Aurora kinase A, Aurora kinase B, Leucine-rich repeat serine/threonine-protein kinase 2, Tyrosine-protein kinase BTK, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase SYK, Tyrosine-protein kinase ZAP-70, and Vascular endothelial growth factor receptor 2, Uniprot O14965, P23458, P35968, P40989, P43403, P43405, Q06187, Q5S007, and Q96GD4
DOI: 10.7270/q2gm8bvj
title: BindingDB Entry 50010347: Stilbenes with Potent Protein Tyrosine Phosphatase-1B Inhibitory Activity from the Roots of

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1, Uniprot P18031
DOI: 10.7270/q2gm8bw0
title: BindingDB Entry 50010659: Discovery of Novel Indole-Based Allosteric Highly Potent ATX Inhibitors with Great

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Uniprot Q13822
DOI: 10.7270/q2gm8bxf
title: BindingDB Entry 50011293: Medicinal Chemistry Strategies for the Development of Kinase Inhibitors Targeting Point Mutations.

description: Small molecule binding data for protein ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4, Breakpoint cluster region protein/Tyrosine-protein kinase ABL1, Epidermal growth factor receptor, High affinity nerve growth factor receptor, Tyrosine-protein kinase ABL1, and Tyrosine-protein kinase BTK, Uniprot P00519, P00533, P04629, P11274, Q06187, Q9HC35, and Q9UM73
DOI: 10.7270/q2gm8bzw
title: BindingDB Entry 50011923: Discovery of natural product ellagic acid as a potent CD73 and CD39 dual inhibitor.

description: Small molecule binding data for protein 5'-nucleotidase and Ectonucleoside triphosphate diphosphohydrolase 1, Uniprot P21589, P55772, and Q61503
DOI: 10.7270/q2gm8c0r
title: BindingDB Entry 50012552: New 1,3-thiazole derivatives and their biological and ultrastructural effects on Trypanosoma cruzi.

description: Small molecule binding data for protein Cruzipain, Uniprot P25779
DOI: 10.7270/q2gm8c16
title: BindingDB Entry 50013187: Design, synthesis and bioactivity evaluation of novel pyrazole linked phenylthiazole derivatives in context of antibacterial activity.

description: Small molecule binding data for protein DNA gyrase subunit A/B, Uniprot P0AES4 and P0AES6
DOI: 10.7270/q2gm8c2n
title: BindingDB Entry 50013520: Rational Design of Original Fused-Cycle Selective Inhibitors of Tryptophan 2,3-Dioxygenase.

description: Small molecule binding data for protein Tryptophan 2,3-dioxygenase, Uniprot P48775
DOI: 10.7270/q2gm8c33
title: BindingDB Entry 50013819: Pyrido[2, 3-d]pyrimidin-7(8H)-ones as new selective orally bioavailable Threonine Tyrosine Kinase (TTK) inhibitors.

description: Small molecule binding data for protein Death-associated protein kinase 3, Dual specificity protein kinase TTK, Interleukin-1 receptor-associated kinase 1, MAP/microtubule affinity-regulating kinase 3, Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Uniprot O00329, O43293, O75747, P27448, P33981, and P51617