cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2pk0m78
title: BindingDB Entry 50017422: Zinc enzymes in medicinal chemistry.

description: Small molecule binding data for protein Adenosine deaminase, Angiotensin-converting enzyme, Botulinum neurotoxin type A, Disintegrin and metalloproteinase domain-containing protein 10, Disintegrin and metalloproteinase domain-containing protein 17, GTPase HRas, GTPase KRas, Histone deacetylase 4, Lethal factor, Matrix metalloproteinase-9, cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D, and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot O14672, O77636, P00813, P01112, P01116, P03958, P0DPI0, P12821, P14780, P15917, P27815, P56524, P78536, Q07343, Q08493, and Q08499
DOI: 10.7270/q2tb1bzk
title: BindingDB Entry 50017421: Inhibition of Histone Deacetylase 6 (HDAC6) as a therapeutic strategy for Alzheimer's disease: A review (2010-2020).

description: Small molecule binding data for protein Acetylcholinesterase, Glutamate receptor ionotropic, NMDA 2A, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, and Histone deacetylase 6, Uniprot O76083, P22303, Q12879, and Q9UBN7
DOI: 10.7270/q2z03d7j
title: BindingDB Entry 50017417: Discovery of 5-{4-[(7-Ethyl-6-oxo-5,6-dihydro-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl}-

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 2, Poly [ADP-ribose] polymerase tankyrase-1, Poly [ADP-ribose] polymerase tankyrase-2, Potassium voltage-gated channel subfamily H member 2, Protein mono-ADP-ribosyltransferase PARP10, Protein mono-ADP-ribosyltransferase PARP11, Protein mono-ADP-ribosyltransferase PARP12, Protein mono-ADP-ribosyltransferase PARP14, Protein mono-ADP-ribosyltransferase PARP16, Protein mono-ADP-ribosyltransferase PARP3, Protein mono-ADP-ribosyltransferase PARP4, Protein mono-ADP-ribosyltransferase PARP8, and Protein mono-ADP-ribosyltransferase PARP9, Uniprot O95271, P09874, Q12809, Q460N5, Q53GL7, Q8IXQ6, Q8N3A8, Q8N5Y8, Q9H0J9, Q9H2K2, Q9NR21, Q9UGN5, Q9UKK3, and Q9Y6F1
DOI: 10.7270/q22r3wq4
title: BindingDB Entry 50017415: Targeting Rearranged during Transfection in Cancer: A Perspective on Small-Molecule Inhibitors and Their Clinical Development.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Angiopoietin-1 receptor, Breakpoint cluster region protein/Tyrosine-protein kinase ABL1, Coiled-coil domain-containing protein 6, Epidermal growth factor receptor, Fibroblast growth factor receptor 1/2/3/4, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, High affinity nerve growth factor receptor, Kinesin-1 heavy chain/Proto-oncogene tyrosine-protein kinase receptor Ret, Macrophage colony-stimulating factor 1 receptor, Mast/stem cell growth factor receptor Kit, NT-3 growth factor receptor, Platelet-derived growth factor receptor alpha, Platelet-derived growth factor receptor beta, Proto-oncogene tyrosine-protein kinase Src, Proto-oncogene tyrosine-protein kinase receptor Ret /Nuclear receptor coactivator 4 fusion protein, RAF proto-oncogene serine/threonine-protein kinase, Receptor-type tyrosine-protein kinase FLT3 [K633Q], SAFB-like transcription modulator, Serine/threonine-protein kinase B-raf, Stromelysin-3, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase receptor UFO, Vascular endothelial growth factor receptor 1, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 3, Uniprot P00519, P00533, P04049, P04629, P07333, P07949, P09619, P10721, P11274, P11362, P12931, P15056, P16234, P17948, P21802, P22455, P22607, P30530, P33176, P35916, P35968, P36888, Q02763, Q02853, Q13772, Q16204, Q16288, Q9NWH9, and Q9UM73
DOI: 10.7270/q26h4ng9
title: BindingDB Entry 50017414: Why All the Fury over Furin?

description: Small molecule binding data for protein Coagulation factor X, Furin, Plasminogen, Proprotein convertase subtilisin/kexin type 6, and Prothrombin, Uniprot P00735, P00742, P00747, P09958, and P29122
DOI: 10.7270/q2b85d61
title: BindingDB Entry 50017413: Targeting WD Repeat-Containing Protein 5 (WDR5): A Medicinal Chemistry Perspective.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase 2A and WD repeat-containing protein 5, Uniprot P61964 and Q03164
DOI: 10.7270/q2g164ww
title: BindingDB Entry 50017412: Insights on Dengue and Zika NS5 RNA-dependent RNA polymerase (RdRp) inhibitors.

description: Small molecule binding data for protein Genome polyprotein, Uniprot A0A143MHK7, P29990, and V5TFZ2
DOI: 10.7270/q2ks6wkg
title: BindingDB Entry 50017411: The Alkaloids from

description: Small molecule binding data for protein Sigma intracellular receptor 2, Sigma non-opioid intracellular receptor 1, and Trace amine-associated receptor 1, Uniprot Q5BJF2, Q923Y8, Q923Y9, Q96RJ0, and Q99720
DOI: 10.7270/q2qf8xzc
title: BindingDB Entry 50017410: Synthetic access to thiolane-based therapeutics and biological activity studies.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1, Uniprot P23219
DOI: 10.7270/q2v69pnn
title: BindingDB Entry 50017408: Switching Lysophosphatidylserine G Protein-Coupled Receptor Agonists to Antagonists by Acylation of the Hydrophilic Serine Amine.

description: Small molecule binding data for protein Probable G-protein coupled receptor 174, Uniprot Q3U507
DOI: 10.7270/q200064w
title: BindingDB Entry 50017407: Structure-Based Optimization and Discovery of M3258, a Specific Inhibitor of the Immunoproteasome Subunit LMP7 (β5i).

description: Small molecule binding data for protein Proteasome subunit beta type-10, Proteasome subunit beta type-5, Proteasome subunit beta type-6, Proteasome subunit beta type-7, Proteasome subunit beta type-8, and Proteasome subunit beta type-9, Uniprot P28062, P28065, P28072, P28074, P40306, and Q99436
DOI: 10.7270/q23r0xxd
title: BindingDB Entry 50017406: An Alkynylpyrimidine-Based Covalent Inhibitor That Targets a Unique Cysteine in NF-κB-Inducing Kinase.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 14, Uniprot Q99558
DOI: 10.7270/q27h1pn4
title: BindingDB Entry 50017404: Anticancer potential of indirubins in medicinal chemistry: Biological activity, structural modification, and structure-activity relationship.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Aurora kinase A, Aurora kinase B, Aurora kinase C, Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-dependent kinase 4/G1/S-specific cyclin-D1, Cyclin-dependent kinase 5 activator 1, Fibroblast growth factor receptor 1, Glycogen synthase kinase-3, Glycogen synthase kinase-3 beta, Glycogen synthase kinase-3 beta/[Tau protein] kinase, Hepatocyte growth factor receptor, Indoleamine 2,3-dioxygenase 1, Non-receptor tyrosine-protein kinase TYK2, Proto-oncogene tyrosine-protein kinase Src, Proto-oncogene tyrosine-protein kinase receptor Ret, Receptor-type tyrosine-protein kinase FLT3 [K633Q], Serine/threonine-protein kinase Sgk1, Tyrosine-protein kinase HCK, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase Lck, Tyrosine-protein kinase Lyn, Vascular endothelial growth factor receptor 2, and [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Uniprot B2LUN4, I6LNT8, O00141, O14965, O60674, P06239, P07948, P07949, P08581, P08631, P11362, P11802, P12931, P14902, P20248, P23458, P24385, P24941, P29597, P35968, P36888, P49840, P49841, P52333, Q00535, Q15078, Q15118, Q96GD4, Q9UM73, and Q9UQB9
DOI: 10.7270/q2c82fcv
title: BindingDB Entry 50017402: Rational Design of Photochromic Analogues of Tricyclic Drugs.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P11229
DOI: 10.7270/q2h13624
title: BindingDB Entry 50017401: Discovery, Optimization, and Evaluation of Quinazolinone Derivatives with Novel Linkers as Orally Efficacious Phosphoinositide-3-Kinase Delta Inhibitors for Treatment of Inflammatory Diseases.

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, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P42336, P42338, P48736, and Q9JHG7
DOI: 10.7270/q2mp57ct
title: BindingDB Entry 50017400: Abolishing Dopamine D

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, D(1A) dopamine receptor, D(1B) dopamine receptor, D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, Histamine H1 receptor, Histamine H2 receptor, Histamine H3 receptor, Histamine H4 receptor, Mu-type opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, and Muscarinic acetylcholine receptor M5, Uniprot P07550, P08172, P08173, P08588, P08908, P08912, P08913, P11229, P14416, P20309, P21728, P21917, P21918, P25021, P35348, P35367, P35372, P35462, P47747, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2rf603j
title: BindingDB Entry 50017394: Interplay among Conformation, Intramolecular Hydrogen Bonds, and Chameleonicity in the Membrane Permeability and Cyclophilin A Binding of Macrocyclic Peptide Cyclosporin O Derivatives.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase A, Uniprot P62937
DOI: 10.7270/q2w66qtg
title: BindingDB Entry 50017393: Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.

description: Small molecule binding data for protein Angiopoietin-1 receptor, Dual specificity mitogen-activated protein kinase kinase 4, Maternal embryonic leucine zipper kinase, Mitogen-activated protein kinase kinase kinase kinase 5, Serine/threonine-protein kinase 26, Serine/threonine-protein kinase N3, Serine/threonine-protein kinase NLK, Serine/threonine-protein kinase PAK 1, Serine/threonine-protein kinase PAK 2, Serine/threonine-protein kinase PAK 3, Serine/threonine-protein kinase SIK1, Serine/threonine-protein kinase SIK2, and Serine/threonine-protein kinase SIK3, Uniprot O75914, P45985, P57059, Q02763, Q13153, Q13177, Q14680, Q6P5Z2, Q9H0K1, Q9P289, Q9UBE8, Q9Y2K2, and Q9Y4K4
DOI: 10.7270/q20z77b9
title: BindingDB Entry 50017391: Design, Synthesis, and Evaluation of WD-Repeat-Containing Protein 5 (WDR5) Degraders.

description: Small molecule binding data for protein WD repeat-containing protein 5, Uniprot P61964
DOI: 10.7270/q24q8021
title: BindingDB Entry 50017390: Discovery of cytotoxic natural products from Red Sea sponges: Structure and synthesis.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q28g8qsz
title: BindingDB Entry 50017387: Discovery of HN37 as a Potent and Chemically Stable Antiepileptic Drug Candidate.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Potassium voltage-gated channel subfamily KQT member 2/member 3, and Potassium voltage-gated channel subfamily KQT member 3, Uniprot O88943, O88944, P05177, P08684, P10632, P10635, P11712, P20813, and P33261
DOI: 10.7270/q2d79gg7
title: BindingDB Entry 50017383: Scaffold-Hopping Strategy on a Series of Proteasome Inhibitors Led to a Preclinical Candidate for the Treatment of Visceral Leishmaniasis.

description: Small molecule binding data for protein Aurora kinase B, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, and Tyrosine-protein kinase Lck, Uniprot P06239, P48736, and Q96GD4
DOI: 10.7270/q2hx1hqk
title: BindingDB Entry 50017381: Development of Potent NEDD8-Activating Enzyme Inhibitors Bearing a Pyrimidotriazole Scaffold.

description: Small molecule binding data for protein NEDD8-activating enzyme E1 catalytic subunit and Potassium voltage-gated channel subfamily H member 2, Uniprot Q12809 and Q8TBC4
DOI: 10.7270/q2np28f9
title: BindingDB Entry 50017380: Carboxylesterase Notum Is a Druggable Target to Modulate Wnt Signaling.

description: Small molecule binding data for protein Dual specificity protein kinase CLK2, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Palmitoleoyl-protein carboxylesterase NOTUM, and Segment polarity protein dishevelled homolog DVL-1, Uniprot O14640, P49760, Q13627, and Q6P988
DOI: 10.7270/q2sf316g
title: BindingDB Entry 50017378: The Alpha Keto Amide Moiety as a Privileged Motif in Medicinal Chemistry: Current Insights and Emerging Opportunities.

description: Small molecule binding data for protein Calpain-1 catalytic subunit, Cathepsin B, Cathepsin K, Cathepsin S, E3 ubiquitin-protein ligase Mdm2, Group 10 secretory phospholipase A2, Group IIC secretory phospholipase A2, Group IIE secretory phospholipase A2, Phospholipase A2, Phospholipase A2 group V, Phospholipase A2, major isoenzyme, Phospholipase A2, membrane associated, Procathepsin L, Replicase polyprotein 1ab, and Translocator protein, Uniprot O15496, P00592, P04054, P07384, P07711, P07858, P0DTD1, P14555, P16257, P25774, P30535, P30536, P31482, P39877, P43235, P48076, P97391, Q00987, Q9NZK7, Q9QUL3, Q9QXX3, and Q9Z0Y2
DOI: 10.7270/q2x63s0q
title: BindingDB Entry 50017377: Emerging small-molecule inhibitors of the Bruton's tyrosine kinase (BTK): Current development.

description: Small molecule binding data for protein Breakpoint cluster region protein/Tyrosine-protein kinase ABL1, Epidermal growth factor receptor, Potassium voltage-gated channel subfamily H member 2, and Tyrosine-protein kinase BTK, Uniprot P00519, P00533, P11274, Q06187, and Q12809
DOI: 10.7270/q21z48gp
title: BindingDB Entry 50017372: Structural insights of oxindole based kinase inhibitors as anticancer agents: Recent advances.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Aurora kinase A, Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, Epidermal growth factor receptor, Glycogen synthase kinase-3 beta, Hepatocyte growth factor receptor, Platelet-derived growth factor receptor beta, Serine/threonine-protein kinase PAK 4, Serine/threonine-protein kinase pim-1, Vascular endothelial growth factor receptor 2, and [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Uniprot O14965, O96013, P00533, P08581, P09619, P10415, P11309, P11802, P24941, P35968, P49841, and Q15118
DOI: 10.7270/q25q515z
title: BindingDB Entry 50017365: FLT3 Inhibitors in Acute Myeloid Leukemia: Challenges and Recent Developments in Overcoming Resistance.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Aurora kinase A, Aurora kinase B, Cyclin-dependent kinase 2, Cyclin-dependent kinase 4, Cyclin-dependent kinase 6, Epithelial discoidin domain-containing receptor 1, Interleukin-1 receptor-associated kinase 1, Interleukin-1 receptor-associated kinase 4, Leukocyte tyrosine kinase receptor, Macrophage colony-stimulating factor 1 receptor, Mast/stem cell growth factor receptor Kit, NT-3 growth factor receptor, Non-receptor tyrosine-protein kinase TYK2, Platelet-derived growth factor receptor alpha, Receptor-type tyrosine-protein kinase FLT3 [K633Q], Serine/threonine-protein kinase Chk2, Tyrosine-protein kinase ABL1, Tyrosine-protein kinase Fgr, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase receptor UFO, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 3, Uniprot O14965, O96017, P00519, P07333, P09769, P10721, P11802, P16234, P23458, P24941, P29376, P29597, P30530, P35916, P35968, P36888, P51617, P52333, Q00534, Q08345, Q16288, Q96GD4, Q9NWZ3, and Q9UM73
DOI: 10.7270/q29g5rvf
title: BindingDB Entry 50017364: Freshwater Fungi as a Source of Chemical Diversity: A Review.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1, Uniprot P18031
DOI: 10.7270/q2f47t69
title: BindingDB Entry 50017363: Pyridones in drug discovery: Recent advances.

description: Small molecule binding data for protein Inhibitor of nuclear factor kappa-B kinase subunit beta, Neutrophil elastase, Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase Fyn, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O14920, O60674, P06241, P08246, P23458, P29597, and P52333
DOI: 10.7270/q2jw8jx9
title: BindingDB Entry 50017362: Amyloid-β and tau aggregation dual-inhibitors: A synthetic and structure-activity relationship focused review.

description: Small molecule binding data for protein Amyloid-beta precursor protein and Microtubule-associated protein tau, Uniprot P05067 and P10636
DOI: 10.7270/q2pn99pg
title: BindingDB Entry 50017361: FDA-approved pyrimidine-fused bicyclic heterocycles for cancer therapy: Synthesis and clinical application.

description: Small molecule binding data for protein Activated CDC42 kinase 1, BDNF/NT-3 growth factors receptor, Cyclin-dependent kinase 4, Cyclin-dependent kinase 6, Dihydrofolate reductase, Epidermal growth factor receptor, High affinity nerve growth factor receptor, NT-3 growth factor receptor, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Receptor tyrosine-protein kinase erbB-2, Receptor tyrosine-protein kinase erbB-4, Thymidylate synthase, Trifunctional purine biosynthetic protein adenosine-3, Tyrosine-protein kinase BTK, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 3, Uniprot O00329, P00374, P00533, P04626, P04629, P04818, P11802, P22102, P35916, P35968, P48736, Q00534, Q06187, Q07912, Q15303, Q16288, and Q16620
DOI: 10.7270/q2tf02dr
title: BindingDB Entry 50017360: Chemical Highlights Supporting the Role of Lipid A in Efficient Biological Adaptation of Gram-Negative Bacteria to External Stresses.

description: Small molecule binding data for protein 3-oxoacyl-[acyl-carrier-protein] synthase 2, Uniprot Q5TKS0
DOI: 10.7270/q2z60t43
title: BindingDB Entry 50017358: Bisphosphonates, Old Friends of Bones and New Trends in Clinics.

description: Small molecule binding data for protein Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific), Uniprot P60472
DOI: 10.7270/q22z19m2
title: BindingDB Entry 50017353: Small-Molecule Kinase Inhibitors for the Treatment of Nononcologic Diseases.

description: Small molecule binding data for protein Beta-adrenergic receptor kinase 1, Beta-adrenergic receptor kinase 2, Cell division cycle 7-related protein kinase, Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 5, Ephrin type-A receptor 4, Focal adhesion kinase 1, G protein-coupled receptor kinase 5, G protein-coupled receptor kinase 6, Glycogen synthase kinase-3 alpha, Glycogen synthase kinase-3 beta, Insulin-like growth factor 1 receptor, Interleukin-1 receptor-associated kinase 4, Ketohexokinase, MAP kinase-activated protein kinase 2, Mast/stem cell growth factor receptor Kit, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8, Mitogen-activated protein kinase 9, Mitogen-activated protein kinase kinase kinase 5, Mitogen-activated protein kinase kinase kinase kinase 4, Non-receptor tyrosine-protein kinase TYK2, O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139, Phosphatidylinositol 3-kinase regulatory subunit beta, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Proto-oncogene tyrosine-protein kinase receptor Ret, Receptor-type tyrosine-protein kinase FLT3 [K633Q], Rho-associated protein kinase 1, Rho-associated protein kinase 2, Rhodopsin kinase GRK1, Rhodopsin kinase GRK7, Serine/threonine-protein kinase TBK1, Serine/threonine-protein kinase mTOR, Tyrosine-protein kinase BTK, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, and Tyrosine-protein kinase SYK, Uniprot O00311, O00329, O00459, O60674, O75116, O94806, O95819, P05129, P05771, P06493, P07949, P08069, P10721, P17252, P23458, P24723, P24941, P25098, P29597, P34947, P35626, P36888, P41743, P42336, P42345, P43250, P43405, P45983, P45984, P48736, P49137, P49840, P49841, P50053, P52333, P53779, P54764, Q00535, Q02156, Q04759, Q05397, Q05513, Q05655, Q06187, Q13464, Q15139, Q15835, Q8WTQ7, Q99683, Q9NWZ3, and Q9UHD2
DOI: 10.7270/q26q229b
title: BindingDB Entry 50017352: Discovery and development of selective aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors.

description: Small molecule binding data for protein Aldehyde dehydrogenase 1A1, Aldehyde dehydrogenase X, mitochondrial, Aldehyde dehydrogenase family 1 member A3, and Aldehyde dehydrogenase, mitochondrial, Uniprot P00352, P05091, P30837, and P47895
DOI: 10.7270/q2bc43mb
title: BindingDB Entry 50017350: Xanthenes in Medicinal Chemistry - Synthetic strategies and biological activities.

description: Small molecule binding data for protein Beta-secretase 1, C-C chemokine receptor type 1, and Potassium voltage-gated channel subfamily H member 2, Uniprot P32246, P56817, and Q12809
DOI: 10.7270/q2g44vbp
title: BindingDB Entry 50017349: Targeting KRAS mutant cancers by preventing signaling transduction in the MAPK pathway.

description: Small molecule binding data for protein GTPase HRas, GTPase KRas, GTPase NRas, and Protein farnesyltransferase subunit beta, Uniprot P01111, P01112, P01116, and P49356
DOI: 10.7270/q2kw5m3j
title: BindingDB Entry 50017347: 2-Aminothiazole: A privileged scaffold for the discovery of anti-cancer agents.

description: Small molecule binding data for protein Cyclin-dependent kinase 1, Cyclin-dependent kinase 2, Cyclin-dependent kinase 3, Histone deacetylase, Proto-oncogene tyrosine-protein kinase Src, Sphingosine kinase 1, and Sphingosine kinase 2, Uniprot O15379, P06493, P12931, P24941, P56524, Q00526, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9NRA0, Q9NYA1, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2qn6bv9
title: BindingDB Entry 50017346: Fragment Ligands of the m

description: Small molecule binding data for protein YTH domain-containing family protein 1, YTH domain-containing family protein 2, YTH domain-containing family protein 3, and YTH domain-containing protein 1, Uniprot Q7Z739, Q96MU7, Q9BYJ9, and Q9Y5A9
DOI: 10.7270/q2vd73jk
title: BindingDB Entry 50017345: Novel Coronavirus Main Protease Di- and Tripeptide Inhibitors for Treating COVID-19.

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot P0DTD1
DOI: 10.7270/q2057m1w
title: BindingDB Entry 50017341: Substituted 6,7-Dihydro-5

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372
DOI: 10.7270/q23x8bqf
title: BindingDB Entry 50017340: 2-Amino-1,3,4-thiadiazoles as Glutaminyl Cyclases Inhibitors Increase Phagocytosis through Modification of CD47-SIRPα Checkpoint.

description: Small molecule binding data for protein Glutaminyl-peptide cyclotransferase and Glutaminyl-peptide cyclotransferase-like protein, Uniprot Q16769 and Q9NXS2
DOI: 10.7270/q27m0d0z
title: BindingDB Entry 50017338: Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.

description: Small molecule binding data for protein Bromodomain adjacent to zinc finger domain protein 2A, Uniprot Q9UIF9
DOI: 10.7270/q2cc14q8
title: BindingDB Entry 50017337: Restoration of Motor Function Post-Neurological Injury Using Serotonergic Agonist.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, Uniprot P28223