cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2qf8xkf
title: BindingDB Entry 50013089: Discovery of novel PARP/PI3K dual inhibitors with high efficiency against BRCA-proficient triple negative breast cancer.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, 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, Poly [ADP-ribose] polymerase 1, and Poly [ADP-ribose] polymerase 2, Uniprot O00329, P09874, P40989, P42336, P42338, P48736, and Q9UGN5
DOI: 10.7270/q2qf8xmw
title: BindingDB Entry 50013741: Design, synthesis and bioactivity study on 5-phenylfuran derivatives as potent reversal agents against P-glycoprotein-mediated multidrug resistance in MCF-7/ADR cell.

description: Small molecule binding data for protein ATP-dependent translocase ABCB1, Uniprot P08183
DOI: 10.7270/q2qf8xnb
title: BindingDB Entry 50014083: Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion.

description: Small molecule binding data for protein Fusion glycoprotein F0, Uniprot P03420
DOI: 10.7270/q2qf8xps
title: BindingDB Entry 50014380: Nanomolar-Potency 1,2,4-Triazoloquinoxaline Inhibitors of the Kidney Urea Transporter UT-A1.

description: Small molecule binding data for protein Urea transporter 1 and Urea transporter 2, Uniprot P97689 and Q62668
DOI: 10.7270/q2qf8xq7
title: BindingDB Entry 50014736: Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors.

description: Small molecule binding data for protein Arginase-1, Uniprot P05089
DOI: 10.7270/q2qj7mb7
title: BindingDB Entry 9110: Pyrimido-pyridazinone compounds and methods of use thereof

description: Small molecule binding data for protein Tyrosine-protein kinase JAK2 and Tyrosine-protein kinase SYK, Uniprot O60674 and P43405
DOI: 10.7270/q2qj7mcp
title: BindingDB Entry 9497: ErbB 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/q2qj7md4
title: BindingDB Entry 9884: 1-[2-(aminomethyl)benzyl]-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-ones as inhibitors of myeloperoxidase

description: Small molecule binding data for protein Myeloperoxidase and Thyroid peroxidase, Uniprot P05164 and P07202
DOI: 10.7270/q2qj7mfk
title: BindingDB Entry 10093: Discovery of S-217622, a Non-Covalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19

description: Small molecule binding data for protein Replicase polyprotein 1ab and Transmembrane protease serine 2, Uniprot K9N7C7, O15393, P0C6X1, P0C6X6, P0C6X7, and P0DTD1
DOI: 10.7270/q2qj7mg1
title: BindingDB Entry 10271: Inhibitors of integrated stress response pathway

description: Small molecule binding data for protein Cyclic AMP-dependent transcription factor ATF-4, Uniprot P18848
DOI: 10.7270/q2qj7mhg
title: BindingDB Entry 10480: Pyrazole derivative compound and use thereof

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2qj7mjx
title: BindingDB Entry 10867: Heterocyclic compounds as immunomodulators

description: Small molecule binding data for protein Programmed cell death 1 ligand/protein 1, Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q2qj7mkc
title: BindingDB Entry 50007133: An investigation on 4-thiazolidinone derivatives as dual inhibitors of aldose reductase and protein tyrosine phosphatase 1B, in the search for potential agents for the treatment of type 2 diabetes mellitus and its complications.

description: Small molecule binding data for protein Aldo-keto reductase family 1 member B1 and Tyrosine-protein phosphatase non-receptor type 1, Uniprot P15121 and P18031
DOI: 10.7270/q2qj7mmt
title: BindingDB Entry 50007752: Synthetic approaches and pharmaceutical applications of chloro-containing molecules for drug discovery: A critical review.

description: Small molecule binding data for protein Amyloid-beta precursor protein, Beta-glucuronidase, Probable maltase-glucoamylase 2, Prostaglandin G/H synthase 1, and Prostaglandin G/H synthase 2, Uniprot P05067, P05979, P08236, P35354, and Q2M2H8
DOI: 10.7270/q2qj7mn8
title: BindingDB Entry 50008347: Synthesis and evaluation of thieno[3,2-d]pyrimidine derivatives as novel FMS inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Angiopoietin-1 receptor, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Discoidin domain-containing receptor 2, Fibroblast growth factor receptor 1, Macrophage colony-stimulating factor 1 receptor, Maternal embryonic leucine zipper kinase, RAF proto-oncogene serine/threonine-protein kinase, and Vascular endothelial growth factor receptor 2, Uniprot P04049, P05177, P07333, P08684, P10635, P11362, P11712, P33261, P35968, P40989, Q02763, Q14680, and Q16832
DOI: 10.7270/q2qj7mpq
title: BindingDB Entry 50008708: Identification of Pyrrolo[2,3- d]pyrimidine-Based Derivatives as Potent and Orally Effective Fms-like Tyrosine Receptor Kinase 3 (FLT3) Inhibitors for Treating Acute Myelogenous Leukemia.

description: Small molecule binding data for protein Mast/stem cell growth factor receptor Kit and Receptor-type tyrosine-protein kinase FLT3, Uniprot P10721 and P36888
DOI: 10.7270/q2qj7mq5
title: BindingDB Entry 50009000: A combinatorial approach for the discovery of drug-like inhibitors of 15-lipoxygenase-1.

description: Small molecule binding data for protein Polyunsaturated fatty acid lipoxygenase ALOX15, Uniprot P16050
DOI: 10.6084/m9.figshare.22178624
title: Raw data.rar

description: The uploaded dataset is the experimental data of fNIRS. The dataset consisted of fNIRS data collected by ten subjects on the same day using a fNIRS imaging system. The specific content includes the brain blood oxygen response of the subjects during the task, the task marker, and the experimental channel arrangement.
DOI: 10.6084/m9.figshare.22178624.v1
title: Raw data.rar

description: The uploaded dataset is the experimental data of fNIRS. The dataset consisted of fNIRS data collected by ten subjects on the same day using a fNIRS imaging system. The specific content includes the brain blood oxygen response of the subjects during the task, the task marker, and the experimental channel arrangement.
DOI: 10.7270/q2qj7mrm
title: BindingDB Entry 50009341: 2-Aminophenylpyrimidines as Novel Inhibitors of Aminoacyl-tRNA Synthetase Interacting Multifunctional Protein 2 (AIMP2)-DX2 for Lung Cancer Treatment.

description: Small molecule binding data for protein Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, Uniprot Q13155
DOI: 10.7270/q2qj7ms2
title: BindingDB Entry 50009954: Selective AKR1C3 Inhibitors Potentiate Chemotherapeutic Activity in Multiple Acute Myeloid Leukemia (AML) Cell Lines.

description: Small molecule binding data for protein Aldo-keto reductase family 1 member C2 and Aldo-keto reductase family 1 member C3, Uniprot P42330 and P52895
DOI: 10.7270/q2qj7mth
title: BindingDB Entry 50010518: Prenylated Phenolic Compounds from the Aerial Parts of

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1, Uniprot P18031
DOI: 10.7270/q2qj7mvz
title: BindingDB Entry 50011146: Novel class of benzimidazole-thiazole hybrids: The privileged scaffolds of potent anti-inflammatory activity with dual inhibition of cyclooxygenase and 15-lipoxygenase enzymes.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2, Uniprot P05979, P23219, and P35354
DOI: 10.7270/q2qj7mwd
title: BindingDB Entry 50011502: Identification of 6-amino-1

description: Small molecule binding data for protein Mitogen-activated protein kinase 11 and Mitogen-activated protein kinase 15, Uniprot Q15759 and Q8TD08
DOI: 10.7270/q2qj7mxv
title: BindingDB Entry 50011774: One-pot synthesis and molecular docking of some new spiropyranindol-2-one derivatives as immunomodulatory agents and in vitro antimicrobial potential with DNA gyrase inhibitor.

description: Small molecule binding data for protein DNA gyrase subunit A/B, Uniprot P0A0K8 and P20831
DOI: 10.7270/q2qj7mz9
title: BindingDB Entry 50012119: Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19.

description: Small molecule binding data for protein Caspase-2, Cathepsin B, Cathepsin D, Gag-Pol polyprotein [489-587], Neutrophil elastase, and Prothrombin, Uniprot P00734, P04585, P07339, P07858, P08246, and P42575
DOI: 10.7270/q2qj7n05
title: BindingDB Entry 50012736: Discovery of GS-9688 (Selgantolimod) as a Potent and Selective Oral Toll-Like Receptor 8 Agonist for the Treatment of Chronic Hepatitis B.

description: Small molecule binding data for protein Toll-like receptor 7 and Toll-like receptor 8, Uniprot Q9NR97 and Q9NYK1
DOI: 10.7270/q2qj7n1m
title: BindingDB Entry 50013393: Synthesis and biological evaluation of geniposide derivatives as potent and selective PTPlB inhibitors.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1, Tyrosine-protein phosphatase non-receptor type 11, and Tyrosine-protein phosphatase non-receptor type 2, Uniprot P17706, P18031, and Q06124
DOI: 10.7270/q2qj7n22
title: BindingDB Entry 50014020: Discovery and Optimization of a Series of Benzofuran Selective ERAP1 Inhibitors: Biochemical and

description: Small molecule binding data for protein Aminopeptidase N, Cytochrome P450 3A4, Endoplasmic reticulum aminopeptidase 1, and Endoplasmic reticulum aminopeptidase 2, Uniprot P08684, P15144, Q6P179, and Q9NZ08
DOI: 10.7270/q2qj7n3h
title: BindingDB Entry 50014683: Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 6, and Histone deacetylase 8, Uniprot A5H660, Q13547, Q9BY41, and Q9UBN7
DOI: 10.7270/q2qn69tf
title: BindingDB Entry 9079: Substituted cyclopropanes as PDE-10 inhibitors

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9Y233
DOI: 10.7270/q2qn69vw
title: BindingDB Entry 9288: D-3-phosphoglycerate dehydrogenase allosteric inhibitor and use thereof

description: Small molecule binding data for protein D-3-phosphoglycerate dehydrogenase, Uniprot O43175
DOI: 10.7270/q2qn69wb
title: BindingDB Entry 9675: Pyrimidine carboxamides as inhibitors of Vanin-1 enzyme

description: Small molecule binding data for protein Pantetheinase, Uniprot O95497
DOI: 10.7270/q2qn69xs
title: BindingDB Entry 10062: Imidazolyl tricyclic enones as antioxidant inflammation modulators

description: Small molecule binding data for protein Nitric oxide synthase, inducible, Uniprot P35228
DOI: 10.7270/q2qn69z7
title: BindingDB Entry 10449: Pyrazolopyridine compounds and uses thereof

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 1, Uniprot Q92918
DOI: 10.7270/q2qn6b03
title: BindingDB Entry 10658: Compounds and methods for inhibiting CPY26 enzymes

description: Small molecule binding data for protein Cytochrome P450 26A1 and Cytochrome P450 26B1, Uniprot O43174 and Q9NR63
DOI: 10.7270/q2qn6b1j
title: BindingDB Entry 10836: Galactoside inhibitor of galectins

description: Small molecule binding data for protein Galectin-3, Uniprot P17931
DOI: 10.7270/q2qn6b20
title: BindingDB Entry 50006824: Tetradehydrohalicyclamine B, a new proteasome inhibitor from the marine sponge Acanthostrongylophora ingens.

description: Small molecule binding data for protein Proteasome subunit beta type-1, Proteasome subunit beta type-10, Proteasome subunit beta type-2, Proteasome subunit beta type-5, Proteasome subunit beta type-8, and Proteasome subunit beta type-9, Uniprot P20618, P28062, P28065, P28074, P40306, and P49721
DOI: 10.7270/q2qn6b3f
title: BindingDB Entry 50007423: Garcinol and Related Polyisoprenylated Benzophenones as Topoisomerase II Inhibitors: Biochemical and Molecular Modeling Studies.

description: Small molecule binding data for protein DNA topoisomerase 2-alpha and DNA topoisomerase 2-beta, Uniprot P11388 and Q02880
DOI: 10.7270/q2qn6b4w
title: BindingDB Entry 50008027: Discovery of a Thiadiazole-Pyridazine-Based Allosteric Glutaminase 1 Inhibitor Series That Demonstrates Oral Bioavailability and Activity in Tumor Xenograft Models.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, 5-hydroxytryptamine receptor 2B, Glutaminase kidney isoform, mitochondrial, Glutaminase liver isoform, mitochondrial, Mu-type opioid receptor, Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Substance-P receptor, Uniprot O94925, P23975, P25103, P35372, P40989, P41595, Q01959, and Q9UI32
DOI: 10.7270/q2qn6b5b
title: BindingDB Entry 50008653: Identification and Profiling of Hydantoins-A Novel Class of Potent Antimycobacterial DprE1 Inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q2qn6b6s
title: BindingDB Entry 50009301: Urea Derivatives in Modern Drug Discovery and Medicinal Chemistry.

description: Small molecule binding data for protein DNA gyrase subunit B, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2, Metabotropic glutamate receptor 3, Metabotropic glutamate receptor 4, Metabotropic glutamate receptor 5, Metabotropic glutamate receptor 7, Metabotropic glutamate receptor 8, Protease, RAF proto-oncogene serine/threonine-protein kinase, and Serine/threonine-protein kinase B-raf, Uniprot O00222, P04049, P0AES6, P15056, P31424, Q13255, Q14416, Q14831, Q14832, Q14833, and Q9YQ12
DOI: 10.7270/q2qn6b77
title: BindingDB Entry 50009614: Myxochelin- and Pseudochelin-Derived Lipoxygenase Inhibitors from a Genetically Engineered

description: Small molecule binding data for protein Polyunsaturated fatty acid 5-lipoxygenase, Uniprot P09917
DOI: 10.7270/q2qn6b8p
title: BindingDB Entry 50009908: 3-Hydroxypyrimidine-2,4-diones as Selective Active Site Inhibitors of HIV Reverse Transcriptase-Associated RNase H: Design, Synthesis, and Biochemical Evaluations.

description: Small molecule binding data for protein Integrase, Reverse transcriptase, and Reverse transcriptase/RNaseH, Uniprot Q72547, Q76353, and Q9WKE8
DOI: 10.7270/q2qn6b94
title: BindingDB Entry 50010216: Design and Characterization of Superpotent Bivalent Ligands Targeting Oxytocin Receptor Dimers via a Channel-Like Structure.

description: Small molecule binding data for protein Oxytocin receptor, Uniprot P30559
DOI: 10.7270/q2qn6bbk
title: BindingDB Entry 50010808: Medicinal Chemistry of Inhibiting RING-Type E3 Ubiquitin Ligases.

description: Small molecule binding data for protein Cytochrome P450 3A4, E3 ubiquitin-protein ligase Mdm2, E3 ubiquitin-protein ligase XIAP, Kelch-like ECH-associated protein 1, and von Hippel-Lindau disease tumor suppressor, Uniprot P08684, P40337, P98170, Q00987, and Q14145
DOI: 10.7270/q2qn6bc1
title: BindingDB Entry 50011442: Discovery of Covalent Inhibitors Targeting the Transcriptional Enhanced Associate Domain Central Pocket.

description: Small molecule binding data for protein Transcriptional enhancer factor TEF-1, Transcriptional enhancer factor TEF-3, Transcriptional enhancer factor TEF-4, and Transcriptional enhancer factor TEF-5, Uniprot P28347, Q15561, Q15562, and Q99594
DOI: 10.7270/q2qn6bdg
title: BindingDB Entry 50012070: Structural basis for producing selective MAP2K7 inhibitors.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 7, Uniprot O14733
DOI: 10.7270/q2qn6bfx
title: BindingDB Entry 50012397: Discovery of a Napabucasin PROTAC as an Effective Degrader of the E3 Ligase ZFP91.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2qn6bgc
title: BindingDB Entry 50012688: Synthesis and structure-activity relationships of pyrimidine derivatives as potent and orally active FGFR3 inhibitors with both increased systemic exposure and enhanced in vitro potency.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, and Vascular endothelial growth factor receptor 2, Uniprot P11362, P21802, P22455, P22607, and P35968
DOI: 10.7270/q2qn6bht
title: BindingDB Entry 50013026: Structure-activity relationship studies of phenothiazine derivatives as a new class of ferroptosis inhibitors together with the therapeutic effect in an ischemic stroke model.

description: Small molecule binding data for protein Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, Histone acetyltransferase type B catalytic subunit, and Indoleamine 2,3-dioxygenase 1, Uniprot O14929, P14902, and Q6NYC1
DOI: 10.7270/q2qn6bj8
title: BindingDB Entry 50013338: Design, synthesis and biological evaluation of novel N-sulfonylamidine-based derivatives as c-Met inhibitors via Cu-catalyzed three-component reaction.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Epidermal growth factor receptor, Hepatocyte growth factor receptor, Macrophage-stimulating protein receptor, Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor alpha, Platelet-derived growth factor receptor beta, Receptor-type tyrosine-protein kinase FLT3, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 3, Uniprot P00533, P08581, P09619, P10721, P16234, P35916, P35968, P36888, Q04912, and Q9UM73
DOI: 10.7270/q2qn6bkq
title: BindingDB Entry 50013693: Investigation of Selected Flavonoid Derivatives as Potent FLT3 Inhibitors for the Potential Treatment of Acute Myeloid Leukemia.

description: Small molecule binding data for protein Receptor-type tyrosine-protein kinase FLT3, Uniprot P36888
DOI: 10.7270/q2qn6bm5
title: BindingDB Entry 50014326: Structure-aided optimization of non-nucleoside M. tuberculosis thymidylate kinase inhibitors.

description: Small molecule binding data for protein Thymidylate kinase, Uniprot P9WKE1
DOI: 10.7270/q2qr5158
title: BindingDB Entry 9257: Ketone inhibitors of lysine gingipain

description: Small molecule binding data for protein Cathepsin B, Cathepsin F, Cathepsin K, Cathepsin L2, Cathepsin S, Cathepsin Z, Lys-gingipain W83, Pro-cathepsin H, and Procathepsin L, Uniprot O60911, P07711, P07858, P09668, P25774, P43235, Q51817, Q9UBR2, and Q9UBX1
DOI: 10.7270/q2qr516q
title: BindingDB Entry 9466: Protease inhibitors having enhanced features

description: Small molecule binding data for protein HIV-1 protease, Uniprot O90785
DOI: 10.7270/q2qr5175
title: BindingDB Entry 9644: PDE9 inhibitor and use thereof

description: Small molecule binding data for protein High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, Uniprot O76083
DOI: 10.7270/q2qr518m
title: BindingDB Entry 9853: Substituted thiohydantoin derivatives as androgen receptor antagonists

description: Small molecule binding data for protein Androgen receptor and Glucocorticoid receptor, Uniprot P04150 and P10275
DOI: 10.7270/q2qr5192
title: BindingDB Entry 10240: Dual mode of action soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof

description: Small molecule binding data for protein cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074
DOI: 10.7270/q2qr51bh
title: BindingDB Entry 10627: Benzamide compounds

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 and Bcl2-associated agonist of cell death, Uniprot P10415 and Q92934
DOI: 10.7270/q2qr51cz
title: BindingDB Entry 50006772: Discovery of Allosteric, Potent, Subtype Selective, and Peripherally Restricted TrkA Kinase Inhibitors.

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, P35739, Q16288, and Q16620
DOI: 10.7270/q2qr51dd
title: BindingDB Entry 50007085: Synthesis and Pharmacological Evaluation of Triazolopyrimidinone Derivatives as Noncompetitive, Intracellular Antagonists for CC Chemokine Receptors 2 and 5.

description: Small molecule binding data for protein C-C chemokine receptor type 2 and C-C chemokine receptor type 5, Uniprot P41597 and P51681
DOI: 10.7270/q2qr51fv
title: BindingDB Entry 50007366: Caspase-Dependent Apoptosis in Prostate Cancer Cells and Zebrafish by Corchorusoside C from Streptocaulon juventas.

description: Small molecule binding data for protein Transcription factor p65, Uniprot Q04206
DOI: 10.7270/q2qr51g9
title: BindingDB Entry 50007703: Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with Strong

description: Small molecule binding data for protein Menin, Uniprot O00255
DOI: 10.7270/q2qr51hr
title: BindingDB Entry 50008307: Design, synthesis and biological evaluation of low molecular weight CXCR4 ligands.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4, Uniprot P61073
DOI: 10.7270/q2qr51j6
title: BindingDB Entry 50008959: Design, synthesis, evaluation and molecular modeling study of 4-N-phenylaminoquinolines for Alzheimer disease treatment.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2qr51kn
title: BindingDB Entry 50009570: Identification of novel uracil derivatives incorporating benzoic acid moieties as highly potent Dipeptidyl Peptidase-IV inhibitors.

description: Small molecule binding data for protein Dipeptidyl peptidase 4, Dipeptidyl peptidase 8, and Dipeptidyl peptidase 9, Uniprot P27487, Q6V1X1, and Q86TI2
DOI: 10.7270/q2qr51m3
title: BindingDB Entry 50010171: Discovery of human lactate dehydrogenase 5 inhibitors (hLDH5) with anti-lung cancer activity through an in silico method and biological validation.

description: Small molecule binding data for protein L-lactate dehydrogenase A chain, Uniprot P00338
DOI: 10.7270/q2qr51nj
title: BindingDB Entry 50010476: Synthesis and immunostimulatory activity of sugar-conjugated TLR7 ligands.

description: Small molecule binding data for protein Toll-like receptor 7, Uniprot P58681
DOI: 10.7270/q2qr51p0
title: BindingDB Entry 50010760: Design and Synthesis of Tetrazole- and Pyridine-Containing Itraconazole Analogs as Potent Angiogenesis Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 3A4, Uniprot P08684
DOI: 10.7270/q2qr51qf
title: BindingDB Entry 50011100: Design, synthesis and evaluation of new 4-arylthiazole-2-amine derivatives as acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275, P22303, and P32750
DOI: 10.7270/q2qr51rw
title: BindingDB Entry 50011725: Discovery of Leucyladenylate Sulfamates as Novel Leucyl-tRNA Synthetase (LRS)-Targeted Mammalian Target of Rapamycin Complex 1 (mTORC1) Inhibitors.

description: Small molecule binding data for protein Leucine--tRNA ligase, cytoplasmic, Uniprot Q9P2J5
DOI: 10.7270/q2qr51sb
title: BindingDB Entry 50012348: Potent and Selective Mitogen-Activated Protein Kinase Kinase 1/2 (MEK1/2) Heterobifunctional Small-molecule Degraders.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1 and Dual specificity mitogen-activated protein kinase kinase 2, Uniprot P36507 and Q02750