cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q22n561m
title: BindingDB Entry 50013791: Taurultams incorporating arylsulfonamide: First in vitro inhibition studies of α-, β- and γ-class Carbonic Anhydrases from Vibrio cholerae and Burkholderia pseudomallei.

description: Small molecule binding data for protein Carbonic anhydrase 1 and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q22n5622
title: BindingDB Entry 50014089: Design, synthesis and biological evaluation of novel FXIa inhibitors with 2-phenyl-1H-imidazole-5-carboxamide moiety as P1 fragment.

description: Small molecule binding data for protein Coagulation factor VII, Coagulation factor X, Coagulation factor XI, and Plasma kallikrein, Uniprot P00742, P03951, P03952, and P08709
DOI: 10.7270/q22n563h
title: BindingDB Entry 50014449: Discovery of a novel series of substituted quinolines acting as anticancer agents and selective EGFR blocker: Molecular docking study.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q22r3vqq
title: BindingDB Entry 9324: Iso-citrate dehydrogenase (IDH) inhibitor

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP] cytoplasmic [R132C], Uniprot O75874
DOI: 10.7270/q22r3vr5
title: BindingDB Entry 9711: Tricyclic ASK1 inhibitors

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 5, Uniprot Q99683
DOI: 10.7270/q22r3vsm
title: BindingDB Entry 9920: Trifluoromethylpropanamide derivatives as HTRA1 inhibitors

description: Small molecule binding data for protein Serine protease HTRA1, Uniprot Q92743
DOI: 10.7270/q22r3vt2
title: BindingDB Entry 10098: Substituted purines as TLR7 agonists

description: Small molecule binding data for protein Toll-like receptor 7, Uniprot Q9NYK1
DOI: 10.7270/q22r3vvh
title: BindingDB Entry 10307: Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical compositions, methods of treatment, and process for making the modulator

description: Small molecule binding data for protein Cystic fibrosis transmembrane conductance regulator [1-507,509-1480], Uniprot P13569
DOI: 10.7270/q22r3vwz
title: BindingDB Entry 10485: Sulfoximine glycosidase inhibitors

description: Small molecule binding data for protein Protein O-GlcNAcase, Uniprot O60502
DOI: 10.7270/q22r3vxd
title: BindingDB Entry 10694: 2-amino-n-heteroaryl-nicotinamides as Nav1.8 inhibitors

description: Small molecule binding data for protein Sodium channel protein type 10 subunit alpha, Uniprot Q9Y5Y9
DOI: 10.7270/q22r3vzv
title: BindingDB Entry 50006870: A Qualified Success: Discovery of a New Series of ATAD2 Bromodomain Inhibitors with a Novel Binding Mode Using High-Throughput Screening and Hit Qualification.

description: Small molecule binding data for protein ATPase family AAA domain-containing protein 2, ATPase family AAA domain-containing protein 2B, Bromodomain and PHD finger-containing protein 3, Bromodomain testis-specific protein, Bromodomain-containing protein 1, Bromodomain-containing protein 2, Bromodomain-containing protein 3, Bromodomain-containing protein 4, Bromodomain-containing protein 7, Bromodomain-containing protein 9, CREB-binding protein, Chromatin remodeling regulator CECR2, Nucleosome-remodeling factor subunit BPTF, Peregrin, and Transcription initiation factor TFIID subunit 1, Uniprot O60885, O95696, P21675, P25440, P55201, Q12830, Q15059, Q58F21, Q6PL18, Q92793, Q9BXF3, Q9H8M2, Q9NPI1, Q9ULD4, and Q9ULI0
DOI: 10.7270/q22r3w0q
title: BindingDB Entry 50007479: Use of a Conformational-Switching Mechanism to Modulate Exposed Polarity: Discovery of CCR2 Antagonist BMS-741672.

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/q22r3w15
title: BindingDB Entry 50008087: Identification of potent triazolylpyridine nicotinamide phosphoribosyltransferase (NAMPT) inhibitors bearing a 1,2,3-triazole tail group.

description: Small molecule binding data for protein Nicotinamide phosphoribosyltransferase, Uniprot Q99KQ4
DOI: 10.7270/q22r3w2m
title: BindingDB Entry 50008403: Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-β-lactamases.

description: Small molecule binding data for protein Beta-lactamase TEM, Uniprot P62593
DOI: 10.7270/q22r3w32
title: BindingDB Entry 50008717: Difluoromethylene at the γ-Lactam α-Position Improves 11-Deoxy-8-aza-PGE

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Prostaglandin E2 receptor EP2 subtype, Prostaglandin E2 receptor EP3 subtype, and Prostaglandin E2 receptor EP4 subtype, Uniprot P35408, P40989, P43115, and P43116
DOI: 10.7270/q22r3w4h
title: BindingDB Entry 50009056: Pharmacological Chaperones for the Treatment of α-Mannosidosis.

description: Small molecule binding data for protein Alpha-mannosidase and Lysosomal alpha-mannosidase, Uniprot C0HJB3 and O00754
DOI: 10.7270/q22r3w5z
title: BindingDB Entry 50009678: Kinetic Optimization of Lysine-Targeting Covalent Inhibitors of HSP72.

description: Small molecule binding data for protein Heat shock-related 70 kDa protein 2, Uniprot P54652
DOI: 10.7270/q22r3w6d
title: BindingDB Entry 50010263: Cink4T, a quinazolinone-based dual inhibitor of Cdk4 and tubulin polymerization, identified via ligand-based virtual screening, for efficient anticancer therapy.

description: Small molecule binding data for protein Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 4/G1/S-specific cyclin-D1, Cyclin-dependent kinase 6/G1/S-specific cyclin-D1, Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1, Cytochrome P450 1A1, Cytochrome P450 1A2, and Cytochrome P450 1B1, Uniprot O60563, P04798, P05177, P06493, P11802, P14635, P20248, P24385, P24941, P50750, Q00534, and Q16678
DOI: 10.7270/q22r3w7v
title: BindingDB Entry 50010873: Oligopeptides as Neuropeptide Y 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, and Q15761
DOI: 10.5281/zenodo.7677015
title: Dataset related to article "Acute Blood Levels of Neurofilament Light Indicate One-Year White Matter Pathology and Functional Impairment in Repetitive Mild Traumatic Brain Injured Mice"

description: Raw data related to the article "Acute Blood Levels of Neurofilament Light Indicate One-Year White Matter Pathology and Functional Impairment in Repetitive Mild Traumatic Brain Injured Mice"
description: This work was partially supported by the American Alzheimer Association (application AARG-17-532633)
description: {"references": ["Moro et al., (2022). DOI 10.1089/neu.2022.0252"]}
DOI: 10.7270/q22r3w89
title: BindingDB Entry 50011509: Synthesis and

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Sigma intracellular receptor 2, and Sigma non-opioid intracellular receptor 1, Uniprot P35372, P41143, P41145, Q5U3Y7, and Q60492
DOI: 10.5281/zenodo.7677014
title: Dataset related to article "Acute Blood Levels of Neurofilament Light Indicate One-Year White Matter Pathology and Functional Impairment in Repetitive Mild Traumatic Brain Injured Mice"

description: Raw data related to the article "Acute Blood Levels of Neurofilament Light Indicate One-Year White Matter Pathology and Functional Impairment in Repetitive Mild Traumatic Brain Injured Mice"
description: This work was partially supported by the American Alzheimer Association (application AARG-17-532633)
description: {"references": ["Moro et al., (2022). DOI 10.1089/neu.2022.0252"]}
DOI: 10.7270/q22r3w9r
title: BindingDB Entry 50011833: Development of bivalent triarylalkene- and cyclofenil-derived dual estrogen receptor antagonists and downregulators.

description: Small molecule binding data for protein Estrogen receptor and Estrogen receptor beta, Uniprot P03372 and Q92731
DOI: 10.7270/q22r3wb6
title: BindingDB Entry 50012128: Structure-Activity Relationships of Noncovalent Immunoproteasome β5i-Selective Dipeptides.

description: Small molecule binding data for protein Proteasome subunit beta type-5 and Proteasome subunit beta type-8, Uniprot P28062 and P28074
DOI: 10.7270/q22r3wcn
title: BindingDB Entry 50012449: Novel Amide Compounds as KIF18A Inhibitors for Treating Cancer.

description: Small molecule binding data for protein Kinesin-like protein KIF18A, Uniprot Q8NI77
DOI: 10.7270/q22r3wd3
title: BindingDB Entry 50013107: Rationally designed N-phenylsulfonylindoles as a tool for the analysis of the non-basic 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 6, and D(2) dopamine receptor, Uniprot P08908, P14416, P28223, and P50406
DOI: 10.7270/q22r3wfj
title: BindingDB Entry 50013746: Synthesis, biological evaluation, and docking studies of novel pyrrolo[2,3-b]pyridine derivatives as both ectonucleotide pyrophosphatase/phosphodiesterase inhibitors and antiproliferative agents.

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 and Ectonucleotide pyrophosphatase/phosphodiesterase family member 3, Uniprot O14638 and P22413
DOI: 10.7270/q22r3wg0
title: BindingDB Entry 50014386: Pharmacokinetics of Eleven Kratom Alkaloids Following an Oral Dose of Either Traditional or Commercial Kratom Products in Rats.

description: Small molecule binding data for protein Cytochrome P450 2D6, Uniprot P10635
DOI: 10.7270/q22v2k5w
title: BindingDB Entry 9115: Anticoronaviral compounds and compositions, their pharmaceutical uses and materials for their synthesis

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot A0A3G5BIY8
DOI: 10.7270/q22v2k6b
title: BindingDB Entry 9502: Inhibitors of Bruton's tyrosine kinase and methods of their use

description: Small molecule binding data for protein Tyrosine-protein kinase BTK [386-659], Uniprot Q06187
DOI: 10.7270/q22v2k7s
title: BindingDB Entry 9889: Histone demethylase inhibitors

description: Small molecule binding data for protein Lysine-specific demethylase 4C, Lysine-specific demethylase 5B, and Lysine-specific demethylase 6B, Uniprot O15054, Q9H3R0, and Q9UGL1
DOI: 10.7270/q22v2k87
title: BindingDB Entry 10276: Dynamin-1-like protein inhibitors

description: Small molecule binding data for protein Dynamin-1-like protein, Uniprot O00429
DOI: 10.7270/q22v2k9p
title: BindingDB Entry 10663: Substituted benzimidazoles, their preparation and their use as pharmaceuticals

description: Small molecule binding data for protein Bromodomain-containing protein 4 [49-170], Uniprot O60885
DOI: 10.7270/q22v2kb4
title: BindingDB Entry 10872: Substituted lactams showing serotonin 5-HT receptor activity

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, and D(2) dopamine receptor, Uniprot P08908, P14416, and P28223
DOI: 10.7270/q22v2kck
title: BindingDB Entry 50006832: Resorcinol alkyl glucosides as potent tyrosinase inhibitors.

description: Small molecule binding data for protein Polyphenol oxidase 2 and Tyrosinase, Uniprot O42713 and P14679
DOI: 10.7270/q22v2kd1
title: BindingDB Entry 50007141: Design, synthesis, and discovery of ocotillol-type amide derivatives as orally available modulators of P-glycoprotein-mediated multidrug resistance.

description: Small molecule binding data for protein ATP-dependent translocase ABCB1, Uniprot P08183
DOI: 10.7270/q22v2kfg
title: BindingDB Entry 50007760: Multitarget PPARγ agonists as innovative modulators of the metabolic syndrome.

description: Small molecule binding data for protein Bifunctional epoxide hydrolase 2, Peroxisome proliferator-activated receptor gamma, and Type-1 angiotensin II receptor, Uniprot P30556, P34913, and P37231
DOI: 10.7270/q22v2kgx
title: BindingDB Entry 50008355: Ganocapenoids A-D: Four new aromatic meroterpenoids from Ganoderma capense.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q22v2khc
title: BindingDB Entry 50009007: A multifunctional therapeutic approach: Synthesis, biological evaluation, crystal structure and molecular docking of diversified 1H-pyrazolo[3,4-b]pyridine derivatives against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Amyloid-beta precursor protein, and Cholinesterase, Uniprot O42275, P05067, and P81908
DOI: 10.7270/q22v2kjt
title: BindingDB Entry 50009350: Imidazo[1,2-

description: Small molecule binding data for protein Aldehyde dehydrogenase 1A1, Aldehyde dehydrogenase family 1 member A3, and Retinal dehydrogenase 2, Uniprot O94788, P00352, and P47895
DOI: 10.7270/q22v2kk8
title: BindingDB Entry 50009630: Inhibition Mechanisms of Indoleamine 2,3-Dioxygenase 1 (IDO1).

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q22v2kmq
title: BindingDB Entry 50009964: Design and optimization of (3-aryl-1H-indazol-6-yl)spiro[cyclopropane-1,3'-indolin]-2'-ones as potent PLK4 inhibitors with oral antitumor efficacy.

description: Small molecule binding data for protein Aurora kinase A, Aurora kinase B, Receptor-type tyrosine-protein kinase FLT3, Serine/threonine-protein kinase PLK4, and Vascular endothelial growth factor receptor 2, Uniprot O00444, O14965, P35968, P36888, and Q96GD4
DOI: 10.7270/q22v2kn5
title: BindingDB Entry 50010222: Identification of Novel Steroidal Androgen Receptor Degrading Agents Inspired by Galeterone 3β-Imidazole Carbamate.

description: Small molecule binding data for protein Androgen receptor and Steroid 17-alpha-hydroxylase/17,20 lyase, Uniprot P05093 and P10275
DOI: 10.7270/q22v2kpm
title: BindingDB Entry 50010531: Targeting Orthosteric and Allosteric Pockets of Aromatase via Dual-Mode Novel Azole Inhibitors.

description: Small molecule binding data for protein Aromatase, Uniprot P11511
DOI: 10.7270/q22v2kq2
title: BindingDB Entry 50011153: Discovery of 9-phenylacridinediones as highly selective butyrylcholinesterase inhibitors through structure-based virtual screening.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275, P06276, P22303, and P81908
DOI: 10.7270/q22v2krh
title: BindingDB Entry 50011781: Synthesis, biological evaluation and in silico modeling of novel integrase strand transfer inhibitors (INSTIs).

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P05177, P08684, P10632, P10635, P11712, and P33261
DOI: 10.7270/q22v2ksz
title: BindingDB Entry 50012404: Movement to the Clinic of Soluble Epoxide Hydrolase Inhibitor EC5026 as an Analgesic for Neuropathic Pain and for Use as a Nonaddictive Opioid Alternative.

description: Small molecule binding data for protein Bifunctional epoxide hydrolase 2, Uniprot P34913
DOI: 10.7270/q22v2ktd
title: BindingDB Entry 50012744: Quinazoline Based HSP90 Inhibitors: Synthesis, Modeling Study and ADME Calculations Towards Breast Cancer Targeting.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha/90-beta, Uniprot P07900 and P08238
DOI: 10.7270/q22v2kvv
title: BindingDB Entry 50013044: PROTACs suppression of GSK-3β, a crucial kinase in neurodegenerative diseases.

description: Small molecule binding data for protein Glycogen synthase kinase-3 beta, Uniprot P49841
DOI: 10.7270/q22v2kw9
title: BindingDB Entry 50013403: Targeting Protein Folding: A Novel Approach for the Treatment of Pathogenic Bacteria.

description: Small molecule binding data for protein Outer membrane protein MIP, Peptidyl-prolyl cis-trans isomerase FKBP1A, and Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot P62942, Q13526, and Q70YI1
DOI: 10.34740/kaggle/dsv/5061270
title: Pixelated Treasures: 10K CryptoPunks
DOI: 10.7270/q22v2kxr
title: BindingDB Entry 50014035: Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.

description: Small molecule binding data for protein [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial, and [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial, Uniprot O14874, Q15118, Q15119, Q15120, and Q16654
DOI: 10.7270/q22v2kz6
title: BindingDB Entry 50014692: Discovery of a Bicyclic Peptidyl Pan-Ras Inhibitor.

description: Small molecule binding data for protein Albumin and GTPase KRas, Uniprot P01116 and P02769
DOI: 10.5281/zenodo.7676753
title: Table3. TLC Result 10 % ethyl acetate subfraction of Meniran leaves

description: Table 3. TLC Result<strong> </strong>10 % ethyl acetate subfraction of Meniran leaves
DOI: 10.5281/zenodo.7676752
title: Table3. TLC Result 10 % ethyl acetate subfraction of Meniran leaves

description: Table 3. TLC Result<strong> </strong>10 % ethyl acetate subfraction of Meniran leaves
DOI: 10.7270/q22z18jr
title: BindingDB Entry 9084: Methods to treat lymphoplasmacytic lymphoma

description: Small molecule binding data for protein Hexokinase-4, Nuclear receptor subfamily 2 group C member 2, Tyrosine-protein kinase BTK, and Tyrosine-protein kinase HCK, Uniprot P08631, P35557, P49116, and Q06187
DOI: 10.7270/q22z18k6
title: BindingDB Entry 9293: Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors

description: Small molecule binding data for protein ATP-sensitive inward rectifier potassium channel 1, Uniprot P48048
DOI: 10.7270/q22z18mn
title: BindingDB Entry 9471: Heterocyclic compounds as kinase inhibitors

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/q22z18n3
title: BindingDB Entry 9680: Substituted pyrazoloazepin-4-ones and their use as phosphodiesterase inhibitors

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q08499
DOI: 10.7270/q22z18pj
title: BindingDB Entry 10067: Indazole inhibitors of fructokinase (KHK) and methods of use in treating KHK-mediated disorders or diseases

description: Small molecule binding data for protein Ketohexokinase, Uniprot P50053
DOI: 10.7270/q22z18q0
title: BindingDB Entry 10454: Spirocyclic ROR-gamma modulators

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449
DOI: 10.7270/q22z18rf
title: BindingDB Entry 10841: Substituted [1,2,4]triazolo[4,3-a]pyrazines as phosphodiesterase inhibitors

description: Small molecule binding data for protein Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C, Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha/beta, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, and cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, Uniprot P16499, P35913, P54750, Q01064, Q08499, Q14123, and Q14432
DOI: 10.7270/q22z18sw
title: BindingDB Entry 50007096: Optimization of LpxC Inhibitor Lead Compounds Focusing on Efficacy and Formulation for High Dose Intravenous Administration.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P08684, P10635, and P11712
DOI: 10.7270/q22z18tb
title: BindingDB Entry 50007430: Flavipesines A and B and Asperchalasines E-H: Cytochalasans and Merocytochalasans from

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP] cytoplasmic, Uniprot O75874
DOI: 10.7270/q22z18vs
title: BindingDB Entry 50007710: A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P25099, P28647, P29274, P29275, P29276, P30542, P30543, Q60612, Q60613, Q60614, and Q61618
DOI: 10.7270/q22z18w7
title: BindingDB Entry 50008039: Dual FLT3 inhibitors: Against the drug resistance of acute myeloid leukemia in recent decade.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, Inhibitor of nuclear factor kappa-B kinase subunit beta, Lymphokine-activated killer T-cell-originated protein kinase, Platelet-derived growth factor receptor beta, RAC-alpha serine/threonine-protein kinase, Receptor-type tyrosine-protein kinase FLT3, Serine/threonine-protein kinase pim-1, Serine/threonine-protein kinase pim-2, Serine/threonine-protein kinase pim-3, Tyrosine-protein kinase Fes/Fps, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase receptor TYRO3, and Tyrosine-protein kinase receptor UFO, Uniprot O14920, O60674, P07332, P09619, P11309, P30530, P31749, P36888, Q02750, Q06418, Q86V86, Q96KB5, and Q9P1W9
DOI: 10.7270/q22z18xp
title: BindingDB Entry 50008660: Melonoside B and Melonosins A and B, Lipids Containing Multifunctionalized ω-Hydroxy Fatty Acid Amides from the Far Eastern Marine Sponge Melonanchora kobjakovae.

description: Small molecule binding data for protein Transcription factor Jun, Uniprot P05412
DOI: 10.7270/q22z18z4
title: BindingDB Entry 50009306: The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, 3-phosphoinositide-dependent protein kinase 1, Cytochrome P450 4B1, DNA-dependent protein kinase catalytic subunit, Dual specificity protein kinase TTK, Macrophage colony-stimulating factor 1 receptor, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform, 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, Serine-protein kinase ATM, and Serine/threonine-protein kinase ATR, Uniprot O00329, O15530, P07333, P13584, P27986, P33981, P40989, P42336, P42338, P48736, P78527, Q13315, Q13535, and Q9JHG7
DOI: 10.7270/q22z1900
title: BindingDB Entry 50009913: Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors.

description: Small molecule binding data for protein Large T antigen, Uniprot P03072
DOI: 10.7270/q22z191f
title: BindingDB Entry 50010482: Essential structure of orexin 1 receptor antagonist YNT-707, part V: Structure-activity relationship study of the substituents on the 17-amino group.

description: Small molecule binding data for protein Orexin/Hypocretin receptor type 1, Uniprot O43613
DOI: 10.7270/q22z192w
title: BindingDB Entry 50010819: Design, synthesis & biological evaluation of ferulic acid-based small molecule inhibitors against tumor-associated carbonic anhydrase IX.

description: Small molecule binding data for protein Carbonic anhydrase 2, Carbonic anhydrase 5A, mitochondrial, and Carbonic anhydrase 9, Uniprot P00918, P35218, and Q16790
DOI: 10.7270/q22z193b
title: BindingDB Entry 50011110: Discovery of disubstituted xylylene derivatives as small molecule direct inhibitors of Keap1-Nrf2 protein-protein interaction.

description: Small molecule binding data for protein Kelch-like ECH-associated protein 1, Uniprot Q14145