cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2vx0k32
title: BindingDB Entry 50002296: Electrophilic Triterpenoid Enones: A Comparative Thiol-Trapping and Bioactivity Study.

description: Small molecule binding data for protein Nuclear factor erythroid 2-related factor 2 and Signal transducer and activator of transcription 3, Uniprot P40763 and Q16236
DOI: 10.7270/q20p12ms
title: BindingDB Entry 50002295: Bioactive Azaphilone Derivatives from the Fungus Talaromyces aculeatus.

description: Small molecule binding data for protein Probable maltase-glucoamylase 2, Uniprot Q2M2H8
DOI: 10.7270/q2r49tbn
title: BindingDB Entry 50002297: Discovery of dehydroabietic acid sulfonamide based derivatives as selective matrix metalloproteinases inactivators that inhibit cell migration and proliferation.

description: Small molecule binding data for protein Collagenase, Matrix metalloproteinase (2 and 3), and Matrix metalloproteinase-9, Uniprot P08254, P14780, and P22894
DOI: 10.7270/q2mc92m9
title: BindingDB Entry 50002298: Synthesis and structure-activity relationship study of novel 3-heteroarylcoumarins based on pyridazine scaffold as selective MAO-B inhibitors.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A and Amine oxidase [flavin-containing] B, Uniprot P21397, P27338, and Q53YE7
DOI: 10.7270/q2bz68ng
title: BindingDB Entry 50002300: Drifting of heme-coordinating group in imidazolylmethylxanthones leading to improved selective inhibition of CYP11B1.

description: Small molecule binding data for protein Cytochrome P450 11B1 and Cytochrome P450 11B2, Uniprot P15538 and P19099
DOI: 10.7270/q2gm89x1
title: BindingDB Entry 50002299: Design, synthesis and biological evaluation of novel coumarin-N-benzyl pyridinium hybrids as multi-target agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase (flavin-containing) A, Amine oxidase [flavin-containing] B, Cholinesterase, and Cholinesterases; ACHE & BCHE, Uniprot O42275, P06276, P21397, P22303, P27338, P81908, and Q53YE7
DOI: 10.7270/q2765hzh
title: BindingDB Entry 50002301: Identification of 3,4-dihydro-2H-thiochromene 1,1-dioxide derivatives with a phenoxyethylamine group as highly potent and selective α

description: Small molecule binding data for protein Adrenergic receptor alpha, Alpha adrenergic receptor (1a and 1d), and Alpha-1A adrenergic receptor, Uniprot B0ZBE0, P25100, P35348, and P35368
DOI: 10.7270/q23f4s8n
title: BindingDB Entry 50002302: Discovery of cycloalkyl-fused N-thiazol-2-yl-benzamides as tissue non-specific glucokinase activators: Design, synthesis, and biological evaluation.

description: Small molecule binding data for protein Glucokinase/Glucokinase regulatory protein, Uniprot P35557 and Q53Y25
DOI: 10.7270/q2zp48qf
title: BindingDB Entry 50002303: Tau protein aggregation in Alzheimer's disease: An attractive target for the development of novel therapeutic agents.

description: Small molecule binding data for protein N-acetyl-beta-D-glucosaminidase (O-GlcNAcase), Uniprot O60502
DOI: 10.7270/q2q52s78
title: BindingDB Entry 50002305: Novel cinnamamide-dibenzylamine hybrids: Potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and Cholinesterases; ACHE & BCHE, Uniprot O42275, P06276, P22303, and P81908
DOI: 10.7270/q2tx3hz8
title: BindingDB Entry 50002304: Quinoline hybrids and their antiplasmodial and antimalarial activities.

description: Small molecule binding data for protein Falcipain 2, Uniprot Q9N6S8
DOI: 10.7270/q2kh0qxv
title: BindingDB Entry 50002306: Design, synthesis, and biological evaluation of novel 3-substituted imidazo[1,2-a]pyridine and quinazolin-4(3H)-one derivatives as PI3Kα inhibitors.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphoinositide 3-Kinase (PI3K), delta, and p110α/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P42336, P42338, and P48736
DOI: 10.7270/q2fr007c
title: BindingDB Entry 50002307: Identification of highly potent N-acylethanolamine acid amidase (NAAA) inhibitors: Optimization of the terminal phenyl moiety of oxazolidone derivatives.

description: Small molecule binding data for protein Acid ceramidase (AC) and N-acylethanolamine-hydrolyzing acid amidase (NAAA), Uniprot Q5KTC7 and Q6P7S1
DOI: 10.7270/q2668gt4
title: BindingDB Entry 50002310: Clathrodin, hymenidin and oroidin, and their synthetic analogues as inhibitors of the voltage-gated potassium channels.

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily A member 3, Potassium voltage-gated channel subfamily A member 4, Potassium voltage-gated channel subfamily A member 6, Voltage-gated potassium channel, and Voltage-gated potassium channel subfamily A member 1/beta-1, Uniprot P15384, P15385, P16389, P17658, P17659, P22001, P22459, P22460, and Q09470
DOI: 10.7270/q29z97jj
title: BindingDB Entry 50002309: Piperlongumine B and analogs are promising and selective inhibitors for acetylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q22f7r2c
title: BindingDB Entry 50002311: Novel 4/3-((4-oxo-5-(2-oxoindolin-3-ylidene)thiazolidin-2-ylidene)amino) benzenesulfonamides: Synthesis, carbonic anhydrase inhibitory activity, anticancer activity and molecular modelling studies.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, P00915, P00918, P22748, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q2xp77jm
title: BindingDB Entry 50002312: Structure-based development of novel triazoles and related thiazolotriazoles as anticancer agents and Cdc25A/B phosphatase inhibitors. Synthesis, in vitro biological evaluation, molecular docking and in silico ADME-T studies.

description: Small molecule binding data for protein Dual specificity phosphatase Cdc25A and Dual specificity phosphatase Cdc25B, Uniprot P30304 and P30305
DOI: 10.7270/q2sx6gvb
title: BindingDB Entry 50002313: New racemic annulated pyrazolo[1,2-b]phthalazines as tacrine-like AChE inhibitors with potential use in Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2p84fgr
title: BindingDB Entry 50002314: Novel tacrine derivatives exhibiting improved acetylcholinesterase inhibition: Design, synthesis and biological evaluation.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2dr2z42
title: BindingDB Entry 50002316: Design, Synthesis, and Biological Evaluation of Tetrahydroisoquinoline-Based Histone Deacetylase 8 Selective Inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, and Histone deacetylase 8, Uniprot O15379, Q13547, Q6IT96, Q92769, Q9BY41, and Q9Y618
DOI: 10.7270/q2jh3psg
title: BindingDB Entry 50002315: DESIGNER Extracts as Tools to Balance Estrogenic and Chemopreventive Activities of Botanicals for Women's Health.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2/Estrogen receptor, Uniprot G4XH65 and P03372
DOI: 10.7270/q29026d1
title: BindingDB Entry 50002317: Design, Synthesis, and Biological Evaluation of the First c-Met/HDAC Inhibitors Based on Pyridazinone Derivatives.

description: Small molecule binding data for protein Hepatocyte growth factor receptor and Histone deacetylase 1, Uniprot A0A024R759, P08581, Q13547, and Q6IT96
DOI: 10.7270/q21g0pv7
title: BindingDB Entry 50002319: Discovery of Potent EV71 Capsid Inhibitors for Treatment of HFMD.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Genome polyprotein, Uniprot P40989 and Q66478
DOI: 10.7270/q2571fmd
title: BindingDB Entry 50002318: Discovery of Potent and Selective A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2a and A3, Adenosine receptor A2b, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, and Nuclear receptor subfamily 1 group I member 2, Uniprot C1ID52, O75469, P05177, P08684, P10635, P11712, P29274, P29275, P30542, P30543, P33261, Q6GRK0, S5RV20, and X5DNB4
DOI: 10.7270/q2s1853j
title: BindingDB Entry 50002321: Cyclic Biphalin Analogues Incorporating a Xylene Bridge: Synthesis, Characterization, and Biological Profile.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu & delta, Uniprot P33533, P33535, P35372, and P41143
DOI: 10.7270/q2wq06ds
title: BindingDB Entry 50002320: Design and Optimization of Benzopiperazines as Potent Inhibitors of BET Bromodomains.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2n87dd8
title: BindingDB Entry 50002322: Evaluation of Oxetan-3-ol, Thietan-3-ol, and Derivatives Thereof as Bioisosteres of the Carboxylic Acid Functional Group.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase and Cyclooxygenase, Uniprot P12527, P35355, and Q63921
DOI: 10.7270/q2hh6npj
title: BindingDB Entry 50002323: Design of KDM4 Inhibitors with Antiproliferative Effects in Cancer Models.

description: Small molecule binding data for protein Lysine-specific demethylase 2B, Lysine-specific demethylase 3A, Lysine-specific demethylase 3B, Lysine-specific demethylase 4A, Lysine-specific demethylase 4B, Lysine-specific demethylase 4C, Lysine-specific demethylase 4D, Lysine-specific demethylase 5B, Lysine-specific demethylase 6B, and Lysine-specific demethylase 7A/7B, Uniprot O15054, O75164, O94953, Q6B0I6, Q7LBC6, Q8NHM5, Q9H3R0, Q9UGL1, Q9UPP1, and Q9Y4C1
DOI: 10.7270/q2cr5wzt
title: BindingDB Entry 50002326: Discovery of a Novel Series of 7-Azaindole Scaffold Derivatives as PI3K Inhibitors with Potent Activity.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphoinositide 3-Kinase (PI3K), delta, and p110α/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P42336, P42338, and P48736
DOI: 10.7270/q280556r
title: BindingDB Entry 50002327: 1-Benzyl-3-aryl-2-thiohydantoin Derivatives as New Anti-

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684 and Q6GRK0
DOI: 10.7270/q20g3nr9
title: BindingDB Entry 50002329: Identifying novel factor XIIa inhibitors with PCA-GA-SVM developed vHTS models.

description: Small molecule binding data for protein Coagulation factor XII, Uniprot P00748
DOI: 10.7270/q2474dfk
title: BindingDB Entry 50002328: Synthesis and bioevaluation of 1-phenyl-pyrazole-4-carboxylic acid derivatives as potent xanthine oxidoreductase inhibitors.

description: Small molecule binding data for protein Xanthine dehydrogenase, Uniprot P80457
DOI: 10.7270/q2vt1vqs
title: BindingDB Entry 50002330: Novel deoxyvasicinone derivatives as potent multitarget-directed ligands for the treatment of Alzheimer's disease: Design, synthesis, and biological evaluation.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P06276 and P22303
DOI: 10.7270/q2m90c9w
title: BindingDB Entry 50002332: Synthesis and biological evaluation of novel 6,11-dihydro-5H-benzo[e]pyrimido- [5,4-b][1,4]diazepine derivatives as potential c-Met inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Epidermal growth factor receptor, Hepatocyte growth factor receptor, Mast/stem cell growth factor receptor Kit, Proto-oncogene tyrosine-protein kinase receptor Ret, Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024R759, A0A024R7T2, P00533, P07949, P08581, P10721, P35968, P36888, and P40989
DOI: 10.7270/q2r2141m
title: BindingDB Entry 50002331: Synthesis and 2D-QSAR studies of neolignan-based diaryl-tetrahydrofuran and -furan analogues with remarkable activity against Trypanosoma cruzi and assessment of the trypanothione reductase activity.

description: Small molecule binding data for protein Trypanothione reductase, Uniprot A0A2V2X955 and P28593
DOI: 10.7270/q2br8vs0
title: BindingDB Entry 50002335: Modulating GluN2B for the Treatment of Neurological and Psychiatric Disorders.

description: Small molecule binding data for protein GluN1/GluN2B NMDA receptor, Uniprot Q05586 and Q13224
DOI: 10.7270/q2gh9mkm
title: BindingDB Entry 50002333: Continued SAR exploration of 1,2,4-thiadiazole-containing scaffolds in the design of free fatty acid receptor 1 (GPR40) agonists.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q270841x
title: BindingDB Entry 50002336: New Substituted Cyanoindoline Derivatives as MAP3K14 Kinase Inhibitors for the Treatment of Cancer and Autoimmune Disorders.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 14, Uniprot Q99558
DOI: 10.7270/q2377cbn
title: BindingDB Entry 50002338: Bruton's Tyrosine Kinase Inhibitors for the Treatment of Autoimmune Diseases and Cancers.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2tt4tkd
title: BindingDB Entry 50002340: Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, P00915, P00918, P22748, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q2zk5k8p
title: BindingDB Entry 50002339: Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors.

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/q2q242vc
title: BindingDB Entry 50002341: Discovery of imidazoleisoindole derivatives as potent IDO1 inhibitors: Design, synthesis, biological evaluation and computational studies.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase, Uniprot A0A348GSI3 and P14902
DOI: 10.7270/q2k93b42
title: BindingDB Entry 50002342: Design, synthesis and anti-HIV evaluation of novel diarylpyridine derivatives as potent HIV-1 NNRTIs.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q29s1tmq
title: BindingDB Entry 50002344: Indolinone Inhibitors of ENT1 for the Treatment of Schizophrenia.

description: Small molecule binding data for protein Equilibrative nucleoside transporter 1, Uniprot Q9JIM1
DOI: 10.7270/q2fj2kcw
title: BindingDB Entry 50002343: Discovery and synthesis of novel Wogonin derivatives with potent antitumor activity in vitro.

description: Small molecule binding data for protein CDK2/Cyclin O, Cyclin-dependent kinase 9, and Hepatocyte growth factor receptor, Uniprot A0A024R759, A0A024R880, A0A024RB77, P08581, P24941, and P50750
DOI: 10.7270/q26112x4
title: BindingDB Entry 50002345: Emerging New Targets for the Treatment of Resistant Fungal Infections.

description: Small molecule binding data for protein Flavin-Dependent Monooxygenase Siderophore A (SidA), Glycylpeptide N-tetradecanoyltransferase, and Mediator of RNA polymerase II transcription subunit 15, Uniprot P30418 and Q6FRS9
DOI: 10.7270/q22b91mk
title: BindingDB Entry 50002346: Novel Phosphodiesterase Inhibitors for Cognitive Improvement in Alzheimer's Disease.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, Homo sapiens phosphodiesterase 2A (PDE2A), and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot A0A0S2Z4T6, A0A140VJR0, A2RSH1, O00408, O76074, O76083, Q01063, and Q08499
DOI: 10.7270/q2st7sf1
title: BindingDB Entry 50002348: Tumor Targeting with Novel Pyridyl 6-Substituted Pyrrolo[2,3- d]Pyrimidine Antifolates via Cellular Uptake by Folate Receptor α and the Proton-Coupled Folate Transporter and Inhibition of De Novo Purine Nucleotide Biosynthesis.

description: Small molecule binding data for protein Folate receptor alpha, Folate receptor beta, Folate transporter 1, Proton-coupled folate transporter, and Thymidylate synthase/GAR transformylase/AICAR transformylase, Uniprot A0A024QZ15, A0A024R5H1, P14207, P15328, P22102, P41440, and Q96NT5
DOI: 10.7270/q2xk8j5r
title: BindingDB Entry 50002347: Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile.

description: Small molecule binding data for protein Androgen Receptor, Baculoviral IAP repeat-containing protein 2/Estrogen receptor, Estrogen receptor, Glucocorticoid receptor, Mineralocorticoid receptor, and Progesterone receptor, Uniprot B0ZBF6, F1D8N4, G4XH65, P03372, P04150, P06401, P06536, P08235, P10275, Q7LCB3, and Q92731
DOI: 10.7270/q2j968zt
title: BindingDB Entry 50002350: Current Insights of BRAF Inhibitors in Cancer.

description: Small molecule binding data for protein BRAF/CRAF, RAF proto-oncogene serine/threonine-protein kinase, and RAF serine/threonine protein kinase, Uniprot A0A024R178, L7RRS6, P04049, P10398, and P15056
DOI: 10.7270/q2p271q0
title: BindingDB Entry 50002349: Structure-Function Evaluation of Imidazopyridine Derivatives Selective for δ-Subunit-Containing γ-Aminobutyric Acid Type A (GABA

description: Small molecule binding data for protein Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2, Gamma-aminobutyric acid receptor subunit alpha-4/beta-3/gamma-2, Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/delta, Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/delta, and Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2, Uniprot P18506, P18508, P28471, P30191, P62813, P63079, and P63138
DOI: 10.7270/q2dj5j62
title: BindingDB Entry 50002351: Mapping the Efficiency and Physicochemical Trajectories of Successful Optimizations.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, AMPK alpha2/beta1/gamma1, Apoptosis regulator Bcl-2, Beta-secretase (BACE), CCR5/mu opioid receptor complex, Mitogen-activated protein kinase 14, and Sigma non-opioid intracellular receptor 1, Uniprot A0A024R125, A0A024R2B3, A0A024R3D7, A0A024RBN1, A0A024RD15, O76074, P10415, P51681, P54619, P54646, P56817, Q16539, Q38L21, Q99720, and Q9Y478
DOI: 10.7270/q2542r63
title: BindingDB Entry 50002353: Discovery and optimization of novel constrained pyrrolopyridone BET family inhibitors.

description: Small molecule binding data for protein Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, and Bromodomain-containing protein 4, Uniprot A0A024R8H6, A0A024RCR5, O60885, P25440, Q15059, and Q58F21
DOI: 10.7270/q28s4shs
title: BindingDB Entry 50002352: Design of Aminopeptidase N Inhibitors as Anti-cancer Agents.

description: Small molecule binding data for protein 72 kDa type IV collagenase, Aminopeptidase, Aminopeptidase A, Aminopeptidase B, Aminopeptidase N, Leucine aminopeptidase, Leucine aminopeptidase (LAP), Leukotriene A4 hydrolase, and Zinc aminopeptidase, Uniprot A0A024R6R4, A0A024RC61, A0A140VK27, O09175, O96935, P08253, P09960, P15144, P15145, P28838, Q07075, and Q29571
DOI: 10.7270/q21c20h6
title: BindingDB Entry 50002354: Preliminary in vitro and in vivo investigation of a potent platelet derived growth factor receptor (PDGFR) family kinase inhibitor.

description: Small molecule binding data for protein Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor, and VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), Uniprot P09619, P10721, and P16234
DOI: 10.7270/q2wm1h1x
title: BindingDB Entry 50002355: Targeting lysine specific demethylase 4A (KDM4A) tandem TUDOR domain - A fragment based approach.

description: Small molecule binding data for protein Lysine-specific demethylase 4A, Lysine-specific demethylase 4B, and Lysine-specific demethylase 4C, Uniprot O75164, O94953, and Q9H3R0
DOI: 10.7270/q2n300jq
title: BindingDB Entry 50002357: Structure-based design of Trifarotene (CD5789), a potent and selective RARγ agonist for the treatment of acne.

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta, Retinoic acid receptor RXR-alpha/gamma, and Retinoic acid receptor alpha/Retinoid X receptor alpha, Uniprot A8K3H3, P10276, P10826, P13631, and Q6I9R7
DOI: 10.7270/q2rv0r96
title: BindingDB Entry 50002356: Discovery of 6-(pyrimidin-5-ylmethyl)quinoline-8-carboxamide negative allosteric modulators of metabotropic glutamate receptor subtype 5.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, and Metabotropic glutamate receptor 5, Uniprot B2CZC8, C1ID52, P05177, P08684, P10635, P11712, P31424, Q6GRK0, and S5RV20
DOI: 10.7270/q2h997tf
title: BindingDB Entry 50002358: Discovery and Optimization of Indolyl-Containing 4-Hydroxy-2-Pyridone Type II DNA Topoisomerase Inhibitors Active against Multidrug Resistant Gram-negative Bacteria.

description: Small molecule binding data for protein DNA gyrase, Uniprot P0AES4
DOI: 10.7270/q2cj8h4k
title: BindingDB Entry 50002359: Synthesis and activity of di- or trisubstituted N-(phenoxyalkyl)- or N-{2-[2-(phenoxy)ethoxy]ethyl}piperazine derivatives on the central nervous system.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, Adrenergic receptor alpha-2, Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor, Alpha-1A adrenergic receptor, D(2) dopamine receptor, Histamine H1 receptor, and Serotonin 1 (5-HT1) receptor, Uniprot A0A024R3C5, P08908, P14416, P15823, P19327, P19328, P22086, P23944, P28223, P34969, P35348, P35367, P43140, P50406, and Q5ZGX3
DOI: 10.7270/q27w6fsq
title: BindingDB Entry 50002361: Rational Design of Novel 1,3-Oxazine Based β-Secretase (BACE1) Inhibitors: Incorporation of a Double Bond To Reduce P-gp Efflux Leading to Robust Aβ Reduction in the Brain.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Beta-secretase (BACE), Beta-secretase 2, Cathepsin D, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot A0A024R3D7, C1ID52, P05177, P07339, P08684, P10635, P11712, P33261, P40989, P56817, Q6GRK0, Q9Y5Z0, S5RV20, and V9HWI3
DOI: 10.7270/q20c4zcf
title: BindingDB Entry 50002363: Enhancing Action of Positive Allosteric Modulators through the Design of Dimeric Compounds.

description: Small molecule binding data for protein Glutamate receptor AMPA 2/3, Uniprot P42262
DOI: 10.7270/q2445q35
title: BindingDB Entry 50002362: Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2vm4fvp
title: BindingDB Entry 50002365: Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.

description: Small molecule binding data for protein Lysine--tRNA ligase and Lysyl-tRNA synthetase, Uniprot Q15046 and Q8IDJ8