cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2pr80vn
title: BindingDB Entry 50015016: 4-Methyl-1,2,3-Triazoles as

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 O60885, P25440, Q15059, and Q58F21
DOI: 10.7270/q2k0784n
title: BindingDB Entry 50015017: Changing for the Better: Discovery of the Highly Potent and Selective CDK9 Inhibitor VIP152 Suitable for Once Weekly Intravenous Dosing for the Treatment of Cancer.

description: Small molecule binding data for protein Cyclin-dependent kinase 9, Glycogen synthase kinase-3 alpha, and Interleukin-1 receptor-associated kinase 1, Uniprot P49840, P50750, and P51617
DOI: 10.7270/q2f76hfc
title: BindingDB Entry 50015020: Balanced dual acting compounds targeting aromatase and estrogen receptor α as an emerging therapeutic opportunity to counteract estrogen responsive breast cancer.

description: Small molecule binding data for protein Aromatase and Estrogen receptor, Uniprot P03372 and P11511
DOI: 10.7270/q29k4g3x
title: BindingDB Entry 50015021: Functional Characterization of the Nemertide α Family of Peptide Toxins.

description: Small molecule binding data for protein Sodium channel protein type 1 subunit alpha, Sodium channel protein type 2 subunit alpha, Sodium channel protein type 3 subunit alpha, Sodium channel protein type 4 subunit alpha, Sodium channel protein type 5 subunit alpha, Sodium channel protein type 8 subunit alpha, and Sodium channel protein type 9 subunit alpha, Uniprot P04775, P08104, P15390, P35498, Q14524, Q15858, and Q9WTU3
DOI: 10.7270/q25t3qc6
title: BindingDB Entry 50015022: Structure-Guided Optimization Provides a Series of TTK Protein Inhibitors with Potent Antitumor Activity.

description: Small molecule binding data for protein Cytochrome P450 2C8, Cytochrome P450 3A4, Dual specificity protein kinase TTK, Leucine-rich repeat serine/threonine-protein kinase 2, MAP kinase-activated protein kinase 3, Mitogen-activated protein kinase 8, Mitogen-activated protein kinase 9, Potassium voltage-gated channel subfamily H member 2, Proto-oncogene tyrosine-protein kinase Src, Serine/threonine-protein kinase Chk2, Testis-specific serine/threonine-protein kinase 1, and Testis-specific serine/threonine-protein kinase 2, Uniprot O96017, P08684, P10632, P12931, P33981, P45983, P45984, Q12809, Q16644, Q5S007, Q96PF2, and Q9BXA7
DOI: 10.7270/q2222zp7
title: BindingDB Entry 50015025: A tacrine-tetrahydroquinoline heterodimer potently inhibits acetylcholinesterase activity and enhances neurotransmission in mice.

description: Small molecule binding data for protein Acetylcholinesterase, Carboxylic ester hydrolase, and Potassium voltage-gated channel subfamily H member 2, Uniprot P37136, Q12809, and Q9JKC1
DOI: 10.7270/q2x92g6b
title: BindingDB Entry 50015026: Design, synthesis and biological evaluation of aminopyrimidine derivatives bearing a 4,5,6,7-tetrahydrothieno [3,2-c]pyridine as potent EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2sj1qh2
title: BindingDB Entry 50015027: Identification of a dual acting SARS-CoV-2 proteases inhibitor through in silico design and step-by-step biological characterization.

description: Small molecule binding data for protein Spike glycoprotein, Uniprot P0DTC2
DOI: 10.7270/q2ns0zsb
title: BindingDB Entry 50015028: Design of the naphthyl-diarylpyrimidines as potent non-nucleoside reverse transcriptase inhibitors (NNRTIs) via structure-based extension into the entrance channel.

description: Small molecule binding data for protein Reverse transcriptase and Reverse transcriptase/RNaseH, Uniprot Q72547 and Q9WKE8
DOI: 10.7270/q2j1072q
title: BindingDB Entry 50015029: Development of potent dual PDK1/AurA kinase inhibitors for cancer therapy: Lead-optimization, structural insights, and ADME-Tox profile.

description: Small molecule binding data for protein Aurora kinase A and [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Uniprot O14965 and Q15118
DOI: 10.7270/q2db85q9
title: BindingDB Entry 50015030: From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, and Fibroblast growth factor receptor 4, Uniprot P11362, P21802, P22455, and P22607
DOI: 10.7270/q28k7dz4
title: BindingDB Entry 50015032: Discovery of Pyrazolo[3,4-

description: Small molecule binding data for protein Epithelial discoidin domain-containing receptor 1, Uniprot Q08345
DOI: 10.7270/q24t6p88
title: BindingDB Entry 50015035: Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target.

description: Small molecule binding data for protein Polyketide synthase Pks13 and Potassium voltage-gated channel subfamily H member 2, Uniprot I6X8D2 and Q12809
DOI: 10.7270/q2125xjv
title: BindingDB Entry 50015039: Spatial Distribution and Stability of Cholinesterase Inhibitory Protoberberine Alkaloids from

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275, P22303, and P81908
DOI: 10.7270/q2w95f2z
title: BindingDB Entry 50015040: The Flavonoid Baicalein Negatively Regulates Progesterone Target Genes in the Uterus

description: Small molecule binding data for protein Glucocorticoid receptor and Progesterone receptor, Uniprot P04150 and P06401
DOI: 10.7270/q2rj4pb7
title: BindingDB Entry 50015041: Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IXβ Reductase B as a Novel Thrombocytopenia Therapeutic Target.

description: Small molecule binding data for protein Flavin reductase (NADPH), Uniprot P30043
DOI: 10.7270/q2ms3xnz
title: BindingDB Entry 50015044: Therapeutic Potential of Monoacylglycerol Lipase (MGL) Inhibitors as Treatment for Pain, Depression, Cancers, and Eye Conditions.

description: Small molecule binding data for protein Monoglyceride lipase, Uniprot Q99685
DOI: 10.7270/q2h41w9t
title: BindingDB Entry 50015045: Novel Difluorocyclohexyl Derivatives as IL-17 Modulators for Treating Inflammatory and Autoimmune Diseases.

description: Small molecule binding data for protein Interleukin-17A, Uniprot Q16552
DOI: 10.7270/q2cc14kg
title: BindingDB Entry 50015048: Optimization of Brigatinib as New Wild-Type Sparing Inhibitors of EGFR

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q27m0ct9
title: BindingDB Entry 50015049: Malaria Box-Inspired Discovery of

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2, Uniprot Q12809
DOI: 10.7270/q23t9n3f
title: BindingDB Entry 50015053: Improved Metabolically Stable 5-HT Receptor Modulators and the Development of New Antidepressants.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, Uniprot P28223
DOI: 10.7270/q2028wdg
title: BindingDB Entry 50015055: Discovery of 5-Aryl-2,4-diaminopyrimidine Compounds as Potent and Selective IRAK4 Inhibitors.

description: Small molecule binding data for protein Interleukin-1 receptor-associated kinase 4 and Mitogen-activated protein kinase kinase kinase 7, Uniprot O43318 and Q9NWZ3
DOI: 10.7270/q2v98cx5
title: BindingDB Entry 50015056: Identification of Slow-Binding Inhibitors of the BoNT/A Protease.

description: Small molecule binding data for protein Botulinum neurotoxin type A, Uniprot P0DPI0
DOI: 10.7270/q2qj7n5d
title: BindingDB Entry 50015057: Novel Plasma Kallikrein Inhibitors for Treating Hereditary Angioedema, Diabetic Macular Edema, and Diabetic Retinopathy.

description: Small molecule binding data for protein Plasma kallikrein, Uniprot P03952
DOI: 10.7270/q2kw5kxw
title: BindingDB Entry 50015058: Discovery and Evaluation of Novel Angular Fused Pyridoquinazolinonecarboxamides as RNA Polymerase I Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A2, DNA-directed RNA polymerase I subunit RPA1, and Potassium voltage-gated channel subfamily H member 2, Uniprot O95602, P05177, and Q12809
DOI: 10.7270/q2g44v6w
title: BindingDB Entry 50015059: Factor XI Activation Inhibitors for Treating Thrombosis, Embolisms, Hypercoagulability, and Fibrotic Changes.

description: Small molecule binding data for protein Coagulation factor XI, Uniprot P03951
DOI: 10.7270/q2bc43f3
title: BindingDB Entry 50015060: Bioactive Cyclization Optimizes the Affinity of a Proprotein Convertase Subtilisin/Kexin Type 9 (PCSK9) Peptide Inhibitor.

description: Small molecule binding data for protein Proprotein convertase subtilisin/kexin type 9, Uniprot Q8NBP7
DOI: 10.7270/q26m3bqc
title: BindingDB Entry 50015061: Discovery of Novel Pyrrolo[2,3-

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Non-receptor tyrosine-protein kinase TYK2, Polyamine deacetylase HDAC10, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O15379, O60674, P23458, P29597, P52333, P56524, Q13547, Q8WUI4, Q969S8, Q9BY41, and Q9UBN7
DOI: 10.7270/q22v2m02
title: BindingDB Entry 50015062: Design and Synthesis of EZH2-Based PROTACs to Degrade the PRC2 Complex for Targeting the Noncatalytic Activity of EZH2.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EZH1 and Histone-lysine N-methyltransferase EZH2, Uniprot Q15910 and Q92800
DOI: 10.7270/q2z323h2
title: BindingDB Entry 50015063: Thermodynamic Dissection of Potency and Selectivity of Cytosolic Hsp90 Inhibitors.

description: Small molecule binding data for protein Endoplasmin, Heat shock protein 75 kDa, mitochondrial, Heat shock protein HSP 90-alpha, and Heat shock protein HSP 90-beta, Uniprot P07900, P08238, P14625, and Q12931
DOI: 10.7270/q2tb1bsb
title: BindingDB Entry 50015064: Novel Functionalized Cannabinoid Receptor Probes: Development of Exceptionally Potent Agonists.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P20272, P21554, P34972, and P47936
DOI: 10.7270/q2pn99h7
title: BindingDB Entry 50015065: Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2jw8jsh
title: BindingDB Entry 50015066: First-Time Disclosure of CVN424, a Potent and Selective GPR6 Inverse Agonist for the Treatment of Parkinson's Disease: Discovery, Pharmacological Validation, and Identification of a Clinical Candidate.

description: Small molecule binding data for protein Cytochrome P450 2D6, G-protein coupled receptor 6, and Potassium voltage-gated channel subfamily H member 2, Uniprot P10635, P46095, and Q12809
DOI: 10.7270/q2f47t12
title: BindingDB Entry 50015067: Design, synthesis, and biological evaluation of novel dual inhibitors targeting lysine specific demethylase 1 (LSD1) and histone deacetylases (HDAC) for treatment of gastric cancer.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 8, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, P27338, Q13547, Q92769, Q96DB2, Q9BY41, Q9UBN7, and Q9UQL6
DOI: 10.7270/q29c729q
title: BindingDB Entry 50015068: Highly Potent and Selective Butyrylcholinesterase Inhibitors for Cognitive Improvement and Neuroprotection.

description: Small molecule binding data for protein Cholinesterase, Uniprot P06276 and P81908
DOI: 10.7270/q25m69k0
title: BindingDB Entry 50015069: Dual-Targeting Antiproliferation Hybrids Derived from 1-Deoxynojirimycin and Kaempferol Induce MCF-7 Cell Apoptosis through the Mitochondria-Mediated Pathway.

description: Small molecule binding data for protein Maltase-glucoamylase, Uniprot O43451
DOI: 10.7270/q21v5jtt
title: BindingDB Entry 50015070: Identification of Novel Carbocyclic Pyrimidine Cyclic Dinucleotide STING Agonists for Antitumor Immunotherapy Using Systemic Intravenous Route.

description: Small molecule binding data for protein Stimulator of interferon genes protein, Uniprot Q3TBT3 and Q86WV6
DOI: 10.7270/q2x352b7
title: BindingDB Entry 50015071: Thiazolidinedione "Magic Bullets" Simultaneously Targeting PPARγ and HDACs: Design, Synthesis, and Investigations of their

description: Small molecule binding data for protein Histone deacetylase 4, Histone deacetylase 8, and Peroxisome proliferator-activated receptor gamma, Uniprot P37231, P56524, and Q9BY41
DOI: 10.7270/q2sf3117
title: BindingDB Entry 50015072: Synthesis of Methoxy-, Methylenedioxy-, Hydroxy-, and Halo-Substituted Benzophenanthridinone Derivatives as DNA Topoisomerase IB (TOP1) and Tyrosyl-DNA Phosphodiesterase 1 (TDP1) Inhibitors and Their Biological Activity for Drug-Resistant Cancer.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1, Uniprot Q9NUW8
DOI: 10.7270/q2np289h
title: BindingDB Entry 50015078: Discovery of a Candidate Containing an (

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Platelet-derived growth factor receptor alpha, Potassium voltage-gated channel subfamily H member 2, Proto-oncogene tyrosine-protein kinase Src, Receptor-type tyrosine-protein kinase FLT3 [K633Q], Tyrosine-protein kinase Lyn, and Vascular endothelial growth factor receptor 2, Uniprot P07948, P11362, P12931, P16234, P35968, P36888, and Q12809
DOI: 10.7270/q2hx1hjb
title: BindingDB Entry 50015079: Design, Synthesis, and Structure-Activity Relationship of

description: Small molecule binding data for protein Toll-like receptor 2, Uniprot O60603
DOI: 10.7270/q2d50rtx
title: BindingDB Entry 50015080: Discovery of G Protein-Biased Ligands against 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, 5-hydroxytryptamine receptor 1E, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, 5-hydroxytryptamine receptor 2C, 5-hydroxytryptamine receptor 3A, 5-hydroxytryptamine receptor 5A, 5-hydroxytryptamine receptor 6, and 5-hydroxytryptamine receptor 7, Uniprot P08908, P28221, P28222, P28223, P28335, P28566, P34969, P41595, P46098, P47898, and P50406
DOI: 10.7270/q28d014f
title: BindingDB Entry 50015081: Identification of a Novel TAR RNA-Binding Protein 2 Modulator with Potential Therapeutic Activity against Hepatocellular Carcinoma.

description: Small molecule binding data for protein RISC-loading complex subunit TARBP2, Uniprot Q15633
DOI: 10.7270/q24m98d5
title: BindingDB Entry 50015082: Discovery of MK-8153, a Potent and Selective ROMK Inhibitor and Novel Diuretic/Natriuretic.

description: Small molecule binding data for protein ATP-sensitive inward rectifier potassium channel 1, ATP-sensitive inward rectifier potassium channel 10, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Inward rectifier potassium channel 13, Potassium voltage-gated channel subfamily H member 2, Sodium channel protein type 5 subunit alpha, and Voltage-dependent L-type calcium channel subunit alpha-1C, Uniprot O60928, P08684, P10632, P10635, P11712, P35560, P48048, P78508, Q12809, Q13936, and Q14524
DOI: 10.7270/q20v8hpf
title: BindingDB Entry 50015086: Rational Design and Synthesis of Novel Dual PROTACs for Simultaneous Degradation of EGFR and PARP.

description: Small molecule binding data for protein Epidermal growth factor receptor and Poly [ADP-ribose] polymerase 1, Uniprot P00533 and P09874
DOI: 10.7270/q2w66qn7
title: BindingDB Entry 50015087: Structural Fine-Tuning of Desmuramylpeptide NOD2 Agonists Defines Their

description: Small molecule binding data for protein Nucleotide-binding oligomerization domain-containing protein 2, Uniprot Q9HC29
DOI: 10.7270/q2rf5zxh
title: BindingDB Entry 50015090: Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP-AMP Synthase.

description: Small molecule binding data for protein Cyclic GMP-AMP synthase, Uniprot Q8C6L5 and Q8N884
DOI: 10.7270/q2mp5754
title: BindingDB Entry 50015091: Design and Synthesis of Pyrrolo[2,3-

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2, Mitogen-activated protein kinase kinase kinase 1, Phosphatidylinositol 4-kinase beta, and Receptor-type tyrosine-protein kinase FLT3 [K633Q], Uniprot P36888, Q13233, Q5S006, Q5S007, and Q9UBF8
DOI: 10.7270/q2gx4gfd
title: BindingDB Entry 50015092: Discovery of M-1121 as an Orally Active Covalent Inhibitor of Menin-MLL Interaction Capable of Achieving Complete and Long-Lasting Tumor Regression.

description: Small molecule binding data for protein Menin, Uniprot O00255
DOI: 10.7270/q2c53qq0
title: BindingDB Entry 50015093: Carbohydrate-Based NK1R Antagonists with Broad-Spectrum Anticancer Activity.

description: Small molecule binding data for protein Substance-P receptor, Uniprot P25103
DOI: 10.7270/q27d301h
title: BindingDB Entry 50015095: Potent Lys Patch-Containing Stapled Peptides Targeting PCSK9.

description: Small molecule binding data for protein Proprotein convertase subtilisin/kexin type 9, Uniprot Q8NBP7
DOI: 10.7270/q23n279s
title: BindingDB Entry 50015096: Synthetic Peptides That Antagonize the Angiotensin-Converting Enzyme-2 (ACE-2) Interaction with SARS-CoV-2 Receptor Binding Spike Protein.

description: Small molecule binding data for protein Angiotensin-converting enzyme 2 and Spike glycoprotein, Uniprot P0DTC2 and Q9BYF1
DOI: 10.7270/q20005z7
title: BindingDB Entry 50015097: Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.

description: Small molecule binding data for protein Cathepsin G, Chymase, Chymotrypsinogen B2, Coagulation factor IX, Coagulation factor VII, Coagulation factor X, Coagulation factor XI, Coagulation factor XII, Kallikrein-1, Myeloblastin, Neutrophil elastase, Plasma kallikrein, Plasminogen, Prothrombin, Tissue-type plasminogen activator, Trypsin, Urokinase-type plasminogen activator, and Vitamin K-dependent protein C, Uniprot P00734, P00740, P00742, P00747, P00748, P00749, P00750, P03951, P03952, P04070, P06870, P07477, P07478, P08246, P08311, P08709, P23946, P24158, P35030, and Q6GPI1
DOI: 10.7270/q2v69pgd
title: BindingDB Entry 50015098: Spiro(isobenzofuranazetidine) Compounds for Treating Autoimmune Diseases.

description: Small molecule binding data for protein Toll-like receptor 7, Toll-like receptor 8, and Toll-like receptor 9, Uniprot Q9NR96, Q9NR97, and Q9NYK1
DOI: 10.7270/q2qf8xrp
title: BindingDB Entry 50015103: Design, synthesis, and biological evaluation of novel pyrrolidinone small-molecule Formyl peptide receptor 2 agonists.

description: Small molecule binding data for protein N-formyl peptide receptor 2 and fMet-Leu-Phe receptor, Uniprot P21462 and P25090
DOI: 10.7270/q2kp861r
title: BindingDB Entry 50015105: Discovery of a 2,4-diphenyl-5,6-dihydrobenzo(h)quinolin-8-amine derivative as a novel DNA intercalating topoisomerase IIα poison.

description: Small molecule binding data for protein DNA topoisomerase 2-alpha, Uniprot P11388
DOI: 10.7270/q2fx7fbg
title: BindingDB Entry 50015109: Discovery of styrylaniline derivatives as novel alpha-synuclein aggregates ligands.

description: Small molecule binding data for protein Alpha-synuclein, Uniprot P37840
DOI: 10.7270/q2b56pm2
title: BindingDB Entry 50015112: 1,2,4-Triazole-3-thione compounds with a 4-ethyl alkyl/aryl sulfide substituent are broad-spectrum metallo-β-lactamase inhibitors with re-sensitization activity.

description: Small molecule binding data for protein Hydroxyacylglutathione hydrolase, mitochondrial, Uniprot Q16775
DOI: 10.7270/q26d5xwb
title: BindingDB Entry 50015113: Discovery of PT-65 as a highly potent and selective Proteolysis-targeting chimera degrader of GSK3 for treating Alzheimer's disease.

description: Small molecule binding data for protein Glycogen synthase kinase-3 beta, Uniprot P49841
DOI: 10.7270/q22r3wjw
title: BindingDB Entry 50015114: Interfering with the Tumor-Immune Interface: Making Way for Triazine-Based Small Molecules as Novel PD-L1 Inhibitors.

description: Small molecule binding data for protein Programmed cell death 1 ligand/protein 1, Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q2z03d29
title: BindingDB Entry 50015118: Discovery of a First-in-Class Inhibitor of the Histone Methyltransferase SETD2 Suitable for Preclinical Studies.

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, Histone-lysine N-methyltransferase SETD2, and Potassium voltage-gated channel subfamily H member 2, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P33261, Q12809, and Q9BYW2
DOI: 10.7270/q2t72nbk
title: BindingDB Entry 50015119: -Terphenyls as Anti-HSV-1/2 Agents from a Deep-Sea-Derived

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2pg1wmv
title: BindingDB Entry 50015120: Construction and activity evaluation of novel dual-target (SE/CYP51) anti-fungal agents containing amide naphthyl structure.

description: Small molecule binding data for protein Lanosterol 14-alpha demethylase, Uniprot P10613
DOI: 10.7270/q2jq14wh
title: BindingDB Entry 50015121: Application of the dual-tail approach for the design and synthesis of novel Thiopyrimidine-Benzenesulfonamide hybrids as selective carbonic anhydrase inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2dz0d6n
title: BindingDB Entry 50015124: Design and synthesis of ciprofloxacin-sulfonamide hybrids to manipulate ciprofloxacin pharmacological qualities: Potency and side effects.

description: Small molecule binding data for protein DNA gyrase subunit A/B and DNA topoisomerase 4 subunit A/B, Uniprot P0AES4, P0AES6, P0C1U9, and Q2FYS5
DOI: 10.7270/q2988bw0
title: BindingDB Entry 50015126: Natural inspired ligustrazine-based SLC-0111 analogues as novel carbonic anhydrase inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q25h7m5p
title: BindingDB Entry 50015127: Discovery of spiro amide SHR902275: A potent, selective, and efficacious RAF inhibitor targeting RAS mutant cancers.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Potassium voltage-gated channel subfamily H member 2, RAF proto-oncogene serine/threonine-protein kinase, and Serine/threonine-protein kinase B-raf, Uniprot P04049, P05177, P08684, P10635, P11712, P15056, P33261, and Q12809
DOI: 10.7270/q21r6vfz
title: BindingDB Entry 50015128: Derivatives of (

description: Small molecule binding data for protein Glutamate receptor ionotropic, NMDA 1/2A, Glutamate receptor ionotropic, NMDA 1/2B, Glutamate receptor ionotropic, NMDA 1/2C, and Glutamate receptor ionotropic, NMDA 1/2D, Uniprot P35439, Q00959, Q00960, Q00961, and Q62645