cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q26t0qpd
title: BindingDB Entry 50006447: Addressing cytotoxicity of 1,4-biphenyl amide derivatives: Discovery of new potent and selective 17β-hydroxysteroid dehydrogenase type 2 inhibitors.

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 1 and Estradiol 17-beta-dehydrogenase 2, Uniprot P14061 and P37059
DOI: 10.7270/q2z89gdn
title: BindingDB Entry 50006450: Synthesis and multiparametric evaluation of thiadiazoles and oxadiazoles as diacylglycerol acyltransferase type 1 inhibitors.

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 1, Uniprot O75907
DOI: 10.7270/q2th8qpx
title: BindingDB Entry 50006451: Phenolic group on A-ring is key for dracoflavan B as a selective noncompetitive inhibitor of α-amylase.

description: Small molecule binding data for protein Alpha-amylase and Pancreatic alpha-amylase, Uniprot P00690 and P00691
DOI: 10.7270/q2pr800f
title: BindingDB Entry 50006455: Discovery of benzothiazoles as antimycobacterial agents: Synthesis, structure-activity relationships and binding studies with Mycobacterium tuberculosis decaprenylphosphoryl-β-D-ribose 2'-oxidase.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P05177, P08684, P10635, P11712, P33261, Q6GRK0, and S5RV20
DOI: 10.7270/q2k0779g
title: BindingDB Entry 50006456: Synthesis, structure-activity relationship and biological evaluation of novel arylpiperzines as α1A/1D-AR subselective antagonists for BPH.

description: Small molecule binding data for protein Adrenergic receptor, Uniprot B0ZBE0, P25100, P35348, and P35368
DOI: 10.7270/q29k4f79
title: BindingDB Entry 50006462: Inhibition of carbonic anhydrase isoforms I, II, IV, VII and XII with carboxylates and sulfonamides incorporating phthalimide/phthalic anhydride scaffolds.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot O43570, P00915, P00918, P22748, P43166, V9HW21, and V9HWE3
DOI: 10.7270/q2fb55x5
title: BindingDB Entry 50006461: 1,2,3-Triazolyl-4-oxoquinolines: A feasible beginning for promising chemical structures to inhibit oseltamivir-resistant influenza A and B viruses.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2222xrq
title: BindingDB Entry 50006464: Fluorescent sulfonamide carbonic anhydrase inhibitors incorporating 1,2,3-triazole moieties: Kinetic and X-ray crystallographic studies.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, A8K3J4, O43570, P00915, P00918, Q16790, Q9ULX7, V9HW21, and V9HWE3
DOI: 10.7270/q25t3pg4
title: BindingDB Entry 50006463: Replacement of cardiotoxic aminopiperidine linker with piperazine moiety reduces cardiotoxicity? Mycobacterium tuberculosis novel bacterial topoisomerase inhibitors.

description: Small molecule binding data for protein DNA gyrase subunit B, Uniprot P9WG45
DOI: 10.7270/q2x92f8t
title: BindingDB Entry 50006466: Molecular modeling studies, synthesis and biological evaluation of dabigatran analogues as thrombin inhibitors.

description: Small molecule binding data for protein Thrombin and coagulation factor X, Uniprot P00734
DOI: 10.7270/q2ns0xxq
title: BindingDB Entry 50006469: 8-Hydroxyquinoline-based inhibitors of the Rce1 protease disrupt Ras membrane localization in human cells.

description: Small molecule binding data for protein Prenyl protein specific protease, Uniprot Q9Y256
DOI: 10.7270/q2sj1pm0
title: BindingDB Entry 50006468: Combination of 4-anilinoquinazoline, arylurea and tertiary amine moiety to discover novel anticancer agents.

description: Small molecule binding data for protein Epidermal growth factor receptor, MER intracellular domain/EGFR extracellular domain chimera, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P00533, P04626, P21860, P35968, Q15303, and X5DNK3
DOI: 10.7270/q2j38wk1
title: BindingDB Entry 50006470: Design, synthesis and evaluation of bitopic arylpiperazinephenyl-1,2,4-oxadiazoles as preferential dopamine D3 receptor ligands.

description: Small molecule binding data for protein D(2) dopamine receptor and D(3) dopamine receptor, Uniprot A0A024R3C5, P14416, and P35462
DOI: 10.7270/q24t6nc6
title: BindingDB Entry 50006473: New Frontiers in Druggability.

description: Small molecule binding data for protein GTPase KRas, Glucose-1-phosphate cytidylyltransferase, Integrase, and Protein-tyrosine phosphatase 1B, Uniprot A0A4U8E7B3, A8K3M3, F2WR39,F2WR52,Q76353, L7RSL8, P01116, P18031, and Q8Z5I4
DOI: 10.7270/q28k7d3x
title: BindingDB Entry 50006472: Challenges in the Discovery of Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot A0A348GSI3 and P14902
DOI: 10.7270/q2db84w4
title: BindingDB Entry 50006471: Structure-Based Design, Synthesis by Click Chemistry and

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A3, Histamine H2 receptor, and Transmembrane domain-containing protein TMIGD3, Uniprot P0DMS9, P25021, P29274, P30542, Q61618, and X5DNB4
DOI: 10.7270/q2w95d6b
title: BindingDB Entry 50006479: Structure-activity relationships for lipoprotein lipase agonists that lower plasma triglycerides in vivo.

description: Small molecule binding data for protein Bile acid receptor FXR, Lipoprotein lipase, Peroxisome proliferator-activated receptor, and Retinoic acid receptor RXR-alpha/gamma, Uniprot F1D8Q5, F1D8S4, P11151, P19793, P37231, Q07869, and Q96RI1
DOI: 10.7270/q2125wns
title: BindingDB Entry 50006478: Medicinal Chemistry Approaches to Heart Regeneration.

description: Small molecule binding data for protein Activin receptor type-1, TGF-beta receptor type-1, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot D3DPA4, P35968, P36897, Q04771, and Q5T7S2
DOI: 10.7270/q2rn3bvg
title: BindingDB Entry 50006480: N(ω)-Carbamoylation of the Argininamide Moiety: An Avenue to Insurmountable NPY Y1 Receptor Antagonists and a Radiolabeled Selective High-Affinity Molecular Tool ([(3)H]UR-MK299) with Extended Residence Time.

description: Small molecule binding data for protein NPFF2, Neuropeptide FF receptor 1, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Neuropeptide Y receptor type 4, and Neuropeptide Y receptor type 5, Uniprot P0DQD5,P50391, P25929, P49146, Q15761, Q9GZQ6, and Q9Y5X5
DOI: 10.7270/q2cc13qv
title: BindingDB Entry 50006483: Discovery of N-[5-(6-Chloro-3-cyano-1-methyl-1H-indol-2-yl)-pyridin-3-ylmethyl]-ethanesulfonamide, a Cortisol-Sparing CYP11B2 Inhibitor that Lowers Aldosterone in Human Subjects.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A, Cytochrome P450 11B, Cytochrome P450 11B1, Cytochrome P450 11B2, and Cytochrome P450 19A1, Uniprot A0A024R5S8, P11511, P15538, P19099, P21397, P30099, and Q53YE7
DOI: 10.7270/q2mw2m5m
title: BindingDB Entry 50006481: Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators.

description: Small molecule binding data for protein Ribonucleoside-diphosphate reductase large subunit, Uniprot P23921
DOI: 10.7270/q2028vk9
title: BindingDB Entry 50006489: Novel β-Carboline/Hydroxamic Acid Hybrids Targeting Both Histone Deacetylase and DNA Display High Anticancer Activity via Regulation of the p53 Signaling Pathway.

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q23t9m7t
title: BindingDB Entry 50006488: Meroterpenoids from a Tropical Dysidea sp. Sponge.

description: Small molecule binding data for protein Sortase A (SrtA), Uniprot Q9S446
DOI: 10.7270/q27m0bzp
title: BindingDB Entry 50006486: Discovery and Structure-Guided Optimization of Diarylmethanesulfonamide Disrupters of Glucokinase-Glucokinase Regulatory Protein (GK-GKRP) Binding: Strategic Use of a N → S (nN → σ*S-X) Interaction for Conformational Constraint.

description: Small molecule binding data for protein Glucokinase regulatory protein and Glucokinase/Glucokinase regulatory protein, Uniprot P35557, Q07071, Q14397, Q53Y25, and Q91X44
DOI: 10.7270/q2vd72ft
title: BindingDB Entry 50006490: Novel Hits in the Correction of ΔF508-Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Protein: Synthesis, Pharmacological, and ADME Evaluation of Tetrahydropyrido[4,3-d]pyrimidines for the Potential Treatment of Cystic Fibrosis.

description: Small molecule binding data for protein Cystic fibrosis transmembrane conductance regulator, Uniprot A0A024R730 and P13569
DOI: 10.7270/q2kw5k2p
title: BindingDB Entry 50006495: Discovery of a First-in-Class, Potent, Selective, and Orally Bioavailable Inhibitor of the p97 AAA ATPase (CB-5083).

description: Small molecule binding data for protein DNA-PK/Ku70/Ku85 and Transitional endoplasmic reticulum ATPase, Uniprot P55072, P78527, and V9HW80
DOI: 10.7270/q2qn69s0
title: BindingDB Entry 50006493: Novel nonsecosteroidal VDR ligands with phenyl-pyrrolyl pentane skeleton for cancer therapy.

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha/Vitamin D3 receptor, Uniprot F1D8P8 and P11473
DOI: 10.7270/q26m39t9
title: BindingDB Entry 50006499: Discovery of Oral VEGFR-2 Inhibitors with Prolonged Ocular Retention That Are Efficacious in Models of Wet Age-Related Macular Degeneration.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor, Proto-oncogene tyrosine-protein kinase receptor Ret, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024R7T2, P07949, P10721, P16234, P35968, and P40989
DOI: 10.7270/q2bc42j1
title: BindingDB Entry 50006498: Discovery of Inhibitors That Overcome the G1202R Anaplastic Lymphoma Kinase Resistance Mutation.

description: Small molecule binding data for protein Casein kinase II subunit alpha, Dual specificity protein kinase CLK1/CLK4, EML4-ALK , Interleukin-1 receptor-associated kinase 1, Interleukin-1 receptor-associated kinase 4, and Proto-oncogene tyrosine-protein kinase receptor Ret, Uniprot A0A024R7T2, P07949, P51617, P68400, Q69FE3, Q9HAZ1, Q9HC35, Q9NWZ3, and Q9UM73
DOI: 10.7270/q2g44t9t
title: BindingDB Entry 50006496: Discovery of 6-(4-{[5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazol-4-yl]methoxy}piperidin-1-yl)-1-methyl-1H-indole-3-carboxylic Acid: A Novel FXR Agonist for the Treatment of Dyslipidemia.

description: Small molecule binding data for protein Androgen receptor/Baculoviral IAP repeat-containing protein 2, Bile acid receptor FXR, Glucocorticoid receptor, Mineralocorticoid receptor, and Progesterone receptor, Uniprot B0ZBF6, F1D8N4, P04150, P06401, P08235, P10275, and Q96RI1
DOI: 10.7270/q22v2k4f
title: BindingDB Entry 50006500: Potent and selective N-(4-sulfamoylphenyl)thiourea-based GPR55 agonists.

description: Small molecule binding data for protein G-protein coupled receptor 55 and Glycine transporter 1, Uniprot A8K858, P48067, and Q9Y2T6
DOI: 10.7270/q2z60s2s
title: BindingDB Entry 50006505: An Orally Bioavailable, Indole-3-glyoxylamide Based Series of Tubulin Polymerization Inhibitors Showing Tumor Growth Inhibition in a Mouse Xenograft Model of Head and Neck Cancer.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2tf01cw
title: BindingDB Entry 50006506: Design of α7 nicotinic acetylcholine receptor ligands using the (het)Aryl-1,2,3-triazole core: Synthesis, in vitro evaluation and SAR studies.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 3A/3C, Neuronal acetylcholine receptor, and Neuronal acetylcholine receptor Alpha-4/Beta-2, Uniprot P17787, P43681, P46098, Q05941, and Q5SXY3
DOI: 10.7270/q2pn98nm
title: BindingDB Entry 50006507: New highly active antiplatelet agents with dual specificity for platelet P2Y1 and P2Y12 adenosine diphosphate receptors.

description: Small molecule binding data for protein Purinergic receptor P2Y1 and Purinergic receptor P2Y12, Uniprot P47900 and Q9H244
DOI: 10.7270/q2jw8hwf
title: BindingDB Entry 50006508: Synthesis, pharmacological assessment, molecular modeling and in silico studies of fused tricyclic coumarin derivatives as a new family of multifunctional anti-Alzheimer agents.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2f47s40
title: BindingDB Entry 50006509: Structure-Activity Relationships of Novel Tryptamine-Based Inhibitors of Bacterial Transglycosylase.

description: Small molecule binding data for protein Penicillin-binding protein, Uniprot Q53729
DOI: 10.7270/q29c71dn
title: BindingDB Entry 50006510: Discovery of benzamides as potent human β3 adrenergic receptor agonists.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Adrenergic receptor, and Beta-2 adrenergic receptor and beta-3 adrenergic receptor, Uniprot A8KAG8, P07550, P08588, P13945, P40989, and X5DQM5
DOI: 10.7270/q21z47ft
title: BindingDB Entry 50006513: Fragment-assisted hit investigation involving integrated HTS and fragment screening: Application to the identification of phosphodiesterase 10A (PDE10A) inhibitors.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, Homo sapiens phosphodiesterase 2A (PDE2A), and Phosphodiesterase Type 10 (PDE10A), Uniprot A0A1B1UZR0, O00408, Q9QYJ6, and Q9Y233
DOI: 10.7270/q25m68qc
title: BindingDB Entry 50006512: Fragment-Based Discovery of Subtype-Selective Adenosine Receptor Ligands from Homology Models.

description: Small molecule binding data for protein Adenosine receptor, Adenosine receptor A1, Adenosine receptor A2a, and Transmembrane domain-containing protein TMIGD3, Uniprot P0DMS9, P25099, P29274, P30542, and X5DNB4
DOI: 10.7270/q2sf3062
title: BindingDB Entry 50006517: Identification of Noncompetitive Inhibitors of Cytosolic 5'-Nucleotidase II Using a Fragment-Based Approach.

description: Small molecule binding data for protein Cytosolic purine 5'-nucleotidase, Uniprot A0A384MED8 and P49902
DOI: 10.7270/q2x63r09
title: BindingDB Entry 50006514: Identification of a potent inhibitor targeting human lactate dehydrogenase A and its metabolic modulation for cancer cell line.

description: Small molecule binding data for protein L-lactate dehydrogenase A chain, Uniprot P00338 and V9HWB9
DOI: 10.7270/q2hx1gpq
title: BindingDB Entry 50006520: Synthesis of a new inhibitor of breast cancer resistance protein with significantly improved pharmacokinetic profiles.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2, Uniprot A1LUE4 and Q9UNQ0
DOI: 10.7270/q2np27fw
title: BindingDB Entry 50006519: Discovery of pyrazolopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, and Nuclear receptor subfamily 1 group I member 2, Uniprot A0A1B1UZR0, C1ID52, O75469, P08684, P10635, P11712, Q6GRK0, Q9Y233, and S5RV20
DOI: 10.7270/q2d50qz9
title: BindingDB Entry 50006522: Comprehensive Analysis of Structure-Activity Relationships of α-Ketoheterocycles as sn-1-Diacylglycerol Lipase α Inhibitors.

description: Small molecule binding data for protein Sn1-specific diacylglycerol lipase alpha, Uniprot Q9Y4D2
DOI: 10.7270/q28d008t
title: BindingDB Entry 50006523: 1-Piperazinylphthalazines as potential VEGFR-2 inhibitors and anticancer agents: Synthesis and in vitro biological evaluation.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P35968
DOI: 10.7270/q24q7z0b
title: BindingDB Entry 50006524: Discovery of Novel Potent and Selective Agonists at the Melanocortin-3 Receptor.

description: Small molecule binding data for protein Melanocortin receptor (M1 and M4), Melanocortin receptor (M3 and M4), and Melanocortin receptor (M4 and M5), Uniprot P32245, P33032, P41968, Q01726, and Q1JUL4
DOI: 10.7270/q20z769f
title: BindingDB Entry 50006527: Synthesis and evaluation of bis-thiazole derivatives as new anticancer agents.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterases; ACHE & BCHE, Uniprot O42275 and P06276
DOI: 10.7270/q2w66psm
title: BindingDB Entry 50006528: Enkephalin analogues with N-phenyl-N-(piperidin-2-ylmethyl)propionamide derivatives: Synthesis and biological evaluations.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu and delta, Uniprot A2AD37, P32300, P33535, P41143, and P97266
DOI: 10.7270/q2mp5682
title: BindingDB Entry 50006532: Development of acridine derivatives as selective Mycobacterium tuberculosis DNA gyrase inhibitors.

description: Small molecule binding data for protein DNA gyrase subunit B, Uniprot P9WG45
DOI: 10.7270/q2rf5z1v
title: BindingDB Entry 50006531: Structure-Based Discovery of Novel Cyclophilin A Inhibitors for the Treatment of Hepatitis C Virus Infections.

description: Small molecule binding data for protein Cyclophilin B (CypB) and Peptidyl-prolyl cis-trans isomerase A, Uniprot P23284, P62937, and V9HWF5
DOI: 10.7270/q2gx4fjb
title: BindingDB Entry 50006533: Structural features underlying raloxifene's biophysical interaction with bone matrix.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2/Estrogen receptor and Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2c53pvc
title: BindingDB Entry 50006534: Design, synthesis and biological evaluation of novel analgesic agents targeting both cyclooxygenase and TRPV1.

description: Small molecule binding data for protein Vanilloid receptor, Uniprot Q8NER1
DOI: 10.7270/q27h1nkt
title: BindingDB Entry 50006535: Sulfamide derivatives with selective carbonic anhydrase VII inhibitory action.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, A8K3J4, O43570, P00915, P00918, P43166, Q16790, Q9ULX7, V9HW21, and V9HWE3
DOI: 10.7270/q23r0wwj
title: BindingDB Entry 50006536: Ferulic acid-carbazole hybrid compounds: Combination of cholinesterase inhibition, antioxidant and neuroprotection as multifunctional anti-Alzheimer agents.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and Cholinesterases; ACHE & BCHE, Uniprot O42275, P06276, P22303, and P81908
DOI: 10.7270/q2000531
title: BindingDB Entry 50006537: Sulfonamides incorporating heteropolycyclic scaffolds show potent inhibitory action against carbonic anhydrase isoforms I, II, IX and XII.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, O43570, P00915, P00918, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q2v69nkb
title: BindingDB Entry 50006538: Fluorinated matrix metalloproteinases inhibitors--Phosphonate based potential probes for positron emission tomography.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase (1 and 13), and Matrix metalloproteinase 2/9, Uniprot A0A024R6R4, P08253, P14780, P22894, and P45452
DOI: 10.7270/q2qf8wvm
title: BindingDB Entry 50006539: Design, synthesis, and docking studies of phenylpicolinamide derivatives bearing 1H-pyrrolo[2,3-b]pyridine moiety as c-Met inhibitors.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot A0A024R759 and P08581
DOI: 10.7270/q2fx7dgv
title: BindingDB Entry 50006541: Symmetric 4,4'-(piperidin-4-ylidenemethylene)bisphenol derivatives as novel tunable estrogen receptor (ER) modulators.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2/Estrogen receptor, Uniprot G4XH65 and P03372
DOI: 10.7270/q2kp854p
title: BindingDB Entry 50006540: Insight to the binding mode of triazole RGD-peptidomimetics to integrin-rich cancer cells by NMR and molecular modeling.

description: Small molecule binding data for protein ITGAV/ITGB3, Uniprot L7RXH0, P05106, and P06756
DOI: 10.7270/q2b85c4q
title: BindingDB Entry 50006542: Synthesis, molecular docking and biological evaluation of N,N-disubstituted 2-aminothiazolines as a new class of butyrylcholinesterase and carboxylesterase inhibitors.

description: Small molecule binding data for protein Acyl coenzyme A:cholesterol acyltransferase, Carboxylesterase, Cholinesterase, and Cholinesterases; ACHE & BCHE, Uniprot P06276, P22303, P23141, P81908, and Q29550
DOI: 10.7270/q26h4mff
title: BindingDB Entry 50006544: Small lipidated anti-obesity compounds derived from neuromedin U.

description: Small molecule binding data for protein Neuromedin-U receptor 1 and Neuromedin-U receptor 2, Uniprot Q9GZQ4 and Q9HB89
DOI: 10.7270/q22r3vp8
title: BindingDB Entry 50006545: Preliminary evaluation of fluoro-pegylated benzyloxybenzenes for quantification of β-amyloid plaques by positron emission tomography.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2t72mfh
title: BindingDB Entry 50006549: 1,9-seco-Bicyclic Polyprenylated Acylphloroglucinols from Hypericum uralum.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P22303
DOI: 10.7270/q2z03c57
title: BindingDB Entry 50006548: Novel Electrophilic and Photoaffinity Covalent Probes for Mapping the Cannabinoid 1 Receptor Allosteric Site(s).

description: Small molecule binding data for protein Cannabinoid receptor 1, Uniprot A0A385KNU8, P21554, P47746, and S5TLS4
DOI: 10.7270/q2pg1vr7
title: BindingDB Entry 50006550: Can Small Chemical Modifications of Natural Pan-inhibitors Modulate the Biological Selectivity? The Case of Curcumin Prenylated Derivatives Acting as HDAC or mPGES-1 Inhibitors.

description: Small molecule binding data for protein Histone deacetylase and Prostaglandin E synthase/G/H synthase 2, Uniprot A0A024QZ26, O14684, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2988b1s
title: BindingDB Entry 50006554: Discovery of Highly Potent Inhibitors Targeting the Predominant Drug-Resistant S31N Mutant of the Influenza A Virus M2 Proton Channel.

description: Small molecule binding data for protein Matrix protein 2, Uniprot P0DOF5
DOI: 10.7270/q2f192qn
title: BindingDB Entry 50006553: Specific Inhibitors of HIV Capsid Assembly Binding to the C-Terminal Domain of the Capsid Protein: Evaluation of 2-Arylquinazolines as Potential Antiviral Compounds.

description: Small molecule binding data for protein Structural capsid protein, Uniprot Q76129
DOI: 10.7270/q2jq142r
title: BindingDB Entry 50006552: Pyridoxine hydroxamic acids as novel HIV-integrase inhibitors.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q25h7k8m
title: BindingDB Entry 50006555: Target β-catenin/CD44/Nanog axis in colon cancer cells by certain N'-(2-oxoindolin-3-ylidene)-2-(benzyloxy)benzohydrazides.

description: Small molecule binding data for protein TCF4-CTNNB1 complex and Transcription factor 4, Uniprot A0A024R2C0, A0A024R2Q3, P15884, and P35222
DOI: 10.7270/q21r6thf
title: BindingDB Entry 50006556: Exploration of the P3 region of PEXEL peptidomimetics leads to a potent inhibitor of the Plasmodium protease, plasmepsin V.

description: Small molecule binding data for protein Plasmepsin V, Uniprot Q8I6Z5