cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2xk8hgc
title: BindingDB Entry 50047406: Design, synthesis and evaluation of novel tacrine-multialkoxybenzene hybrids as multi-targeted compounds against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Beta amyloid A4 protein, and Butyrylcholinesterase (BuChE), Uniprot O42275, P05067, and P81908
DOI: 10.7270/q2xs5x57
title: BindingDB Entry 50046379: Synthesis, biological profiling and mechanistic studies of 4-aminoquinoline-based heterodimeric compounds with dual trypanocidal-antiplasmodial activity.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2z03b4c
title: BindingDB Entry 50047911: ß-Sulfonamido Functionalized Aspartate Analogues as Excitatory Amino Acid Transporter Inhibitors: Distinct Subtype Selectivity Profiles Arising from Subtle Structural Differences.

description: Small molecule binding data for protein Excitatory Amino Acid EAAT2, Excitatory amino acid transporter 1, and Excitatory amino acid transporter 3, Uniprot P43003, P43004, and P43005
DOI: 10.7270/q21c1zs0
title: BindingDB Entry 50047413: Purinylpyridinylamino-based DFG-in/aC-helix-out B-Raf inhibitors: Applying mutant versus wild-type B-Raf selectivity indices for compound profiling.

description: Small molecule binding data for protein RAF serine/threonine protein kinase, Uniprot P15056
DOI: 10.7270/q21r6sgk
title: BindingDB Entry 50047918: New inhibitors of tyrosyl-DNA phosphodiesterase I (Tdp 1) combining 7-hydroxycoumarin and monoterpenoid moieties.

description: Small molecule binding data for protein Tyrosyl-DNA phosphodiesterase 1, Uniprot Q9NUW8
DOI: 10.7270/q21z467q
title: BindingDB Entry 50046890: Synthesis and Characterization of 4,11-Diaminoanthra[2,3-b]furan-5,10-diones: Tumor Cell Apoptosis through tNOX-Modulated NAD(+)/NADH Ratio and SIRT1.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1, Uniprot Q96EB6
DOI: 10.7270/q2542qg8
title: BindingDB Entry 50047412: Computer-aided design, synthesis, and biological evaluation of new indole-2-carboxamide derivatives as PI3Ka/EGFR inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and PI3-kinase subunit alpha, Uniprot P00533 and P42336
DOI: 10.7270/q25b048v
title: BindingDB Entry 50046386: Dual inhibitors of the dengue and West Nile virus NS2B-NS3 proteases: Synthesis, biological evaluation and docking studies of novel peptide-hybrids.

description: Small molecule binding data for protein Genome polyprotein, Uniprot P06935
DOI: 10.7270/q25h7j69
title: BindingDB Entry 50047917: Design and synthesis of selective, dual fatty acid binding protein 4 and 5 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Fatty acid binding protein muscle, Fatty acid-binding protein 4 (FABP4), and Fatty acid-binding protein 5 (FABP5), Uniprot P05413, P08684, P10635, P11712, P15090, and Q01469
DOI: 10.7270/q25m67k5
title: BindingDB Entry 50046889: Synthesis, Biological Evaluation, and Utility of Fluorescent Ligands Targeting theµ-Opioid Receptor.

description: Small molecule binding data for protein Mu-type opioid receptor, Uniprot P35372
DOI: 10.7270/q28k7bth
title: BindingDB Entry 50045863: Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo.

description: Small molecule binding data for protein SRC and Tyrosine-protein kinase ITK/TSK, Uniprot P06239 and Q08881
DOI: 10.7270/q28s4rtd
title: BindingDB Entry 50047411: Structure-activity relationship study of 4-substituted piperidines at Leu26 moiety of novel p53-hDM2 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and E3 ubiquitin-protein ligase Mdm2, Uniprot P08684, P10635, P11712, and Q00987
DOI: 10.7270/q29025kv
title: BindingDB Entry 50046385: Novel Oxazolidinone-Based Peroxisome Proliferator Activated Receptor Agonists: Molecular Modeling, Synthesis, and Biological Evaluation.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor and Peroxisome proliferator-activated receptor alpha (PPAR alpha), Uniprot P37231 and Q07869
DOI: 10.7270/q29c708f
title: BindingDB Entry 50046888: Design and optimization of selective azaindole amide M1 positive allosteric modulators.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Uniprot P11229
DOI: 10.7270/q2db83kp
title: BindingDB Entry 50045862: Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists.

description: Small molecule binding data for protein Glucagon-like peptide 1 receptor (GLP-1), Uniprot P43220
DOI: 10.7270/q2dj5hhp
title: BindingDB Entry 50047410: Synthesis and pharmacological evaluation of new biphenylic derivatives as CB2 receptor ligands.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2dr2x8f
title: BindingDB Entry 50046383: Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2 and Inhibitor of apoptosis protein 3, Uniprot P98170 and Q13490
DOI: 10.7270/q2dz0b78
title: BindingDB Entry 50047915: Synthesis of a selective HDAC6 inhibitor active in neuroblasts.

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 1/2/3, Uniprot A0A024QZ26, O15379, Q13547, Q92769, and Q9UBN7
DOI: 10.7270/q2f47qzx
title: BindingDB Entry 50046887: Discovery of (R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2-(dimethylamino)ethanone (CHMFL-FLT3-122) as a Potent and Orally Available FLT3 Kinase Inhibitor for FLT3-ITD Positive Acute Myeloid Leukemia.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Tyrosine-protein kinase Kit (Kit), and Tyrosine-protein kinase receptor FLT3, Uniprot P10721, P36888, and Q06187
DOI: 10.7270/q2hq41vn
title: BindingDB Entry 50047922: Design, synthesis, and evaluation of novel porcupine inhibitors featuring a fused 3-ring system based on the 'reversed' amide scaffold.

description: Small molecule binding data for protein Protein-cysteine N-palmitoyltransferase porcupine, Uniprot Q9JJJ7
DOI: 10.7270/q2j38v91
title: BindingDB Entry 50045861: Design, Synthesis, and Structure-Activity Relationship Studies of 3-(Phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Derivatives as a New Class of Src Inhibitors with Potent Activities in Models of Triple Negative Breast Cancer.

description: Small molecule binding data for protein AKT/p21CIP1, AXL receptor tyrosine kinase, C-RAF, CDK7/Cyclin H/MNAT1, Cyclin-dependent kinase 2, Discoidin domain-containing receptor 2, Dual specificity mitogen-activated protein kinase kinase 1, Ephrin receptor, Epidermal growth factor receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, IKK epsilon/TBK1, Inhibitor of NF-kappa-B kinase (IKK), MAP kinase ERK2, Mitogen-activated protein kinase 10, NUAK family SNF1-like kinase 1, Neurotrophic tyrosine kinase receptor, Nuclear receptor subfamily 2 group C member 2, PAK1, PI3-kinase subunit alpha, Platelet-derived growth factor receptor, Protein kinase C alpha type, RAF serine/threonine protein kinase, SRC, Serine/threonine-protein kinase AKT, Serine/threonine-protein kinase Aurora, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase mTOR, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase Yes, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot O14757, O14920, O14965, O15111, O60285, O60674, P00533, P04049, P04629, P06241, P07947, P11309, P12931, P15056, P16234, P17252, P24941, P28482, P29317, P29323, P30530, P31749, P31751, P42336, P42345, P49116, P49841, P50613, P51451, P53779, Q02750, Q05397, Q06187, Q13153, Q16832, and Q9UHD2
DOI: 10.7270/q2j9688v
title: BindingDB Entry 50047409: New ligands of the ghrelin receptor based on the 1,2,4-triazole scaffold by introduction of a second chiral center.

description: Small molecule binding data for protein Ghrelin receptor, Uniprot Q92847
DOI: 10.7270/q2jh3nz9
title: BindingDB Entry 50046382: Synthesis of CNS active thyrotropin-releasing hormone (TRH)-like peptides: Biological evaluation and effect on cognitive impairment induced by cerebral ischemia in mice.

description: Small molecule binding data for protein Thyrotropin-releasing hormone receptor and Thyrotropin-releasing hormone receptor 2, Uniprot P21761
DOI: 10.7270/q2jq12zk
title: BindingDB Entry 50047914: A new Suzuki synthesis of triphenylethylenes that inhibit aromatase and bind to estrogen receptorsa andß.

description: Small molecule binding data for protein Aromatase (CYP19), Estradiol receptor alpha (ERα), and Estradiol receptor beta (ERβ), Uniprot P03372, P11511, and Q92731
DOI: 10.7270/q2jw8gqs
title: BindingDB Entry 50046886: A Methylene Group on C-2 of 24,24-Difluoro-19-nor-1a,25-dihydroxyvitamin D3 Markedly Increases Bone Calcium Mobilization in Vivo.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P13053
DOI: 10.7270/q2pn97gz
title: BindingDB Entry 50046885: Novel iodoacetamido benzoheterocyclic derivatives with potent antileukemic activity are inhibitors of STAT5 phosphorylation.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1
DOI: 10.7270/q2wm1g93
title: BindingDB Entry 50047414: Anilinoquinazoline inhibitors of the RET kinase domain-Elaboration of the 7-position.

description: Small molecule binding data for protein Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET and Vascular endothelial growth factor receptor 2, Uniprot P07949, P33176, and P35968
DOI: 10.7270/q2x06900
title: BindingDB Entry 50047919: Design and synthesis of novel HDAC8 inhibitory 2,5-disubstituted-1,3,4-oxadiazoles containing glycine and alanine hybrids with anti cancer activity.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot O15379, Q13547, Q92769, and Q9BY41
DOI: 10.7270/q2xd13d4
title: BindingDB Entry 50045858: Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 5, Dual specificity protein kinase CLK2, Epidermal growth factor receptor, Macrophage colony stimulating factor receptor, Platelet-derived growth factor receptor, Platelet-derived growth factor receptor beta, Serine/threonine-protein kinase GAK, Tyrosine-protein kinase Kit (Kit), and Tyrosine-protein kinase receptor FLT3, Uniprot O14976, P00533, P07333, P09619, P10721, P16234, P36888, P49760, and Q13163
DOI: 10.7270/q2z60qwq
title: BindingDB Entry 50046883: Identification of azabenzimidazoles as potent JAK1 selective inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, CDK2/CycE, JAK2/TYK2, JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P23458, P24864, P24941, P29597, P52333, and Q96GD4
DOI: 10.7270/q2154js3
title: BindingDB Entry 50045865: Benzo[d]imidazole Transient Receptor Potential Vanilloid 1 Antagonists for the Treatment of Pain: Discovery of trans-2-(2-{2-[2-(4-Trifluoromethyl-phenyl)-vinyl]-1H-benzimidazol-5-yl}-phenyl)-propan-2-ol (Mavatrep).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Transient receptor potential cation channel subfamily V member 1, and Vanilloid receptor, Uniprot O35433, P05177, P08684, P10635, and Q8NER1
DOI: 10.7270/q21j9ck1
title: BindingDB Entry 50046387: Synthesis and carbonic anhydrase I, II, IX and XII inhibitory activity of sulfamates incorporating piperazinyl-ureido moieties.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q24j0h3x
title: BindingDB Entry 50047925: Synthesis and activity of newly designed aroxyalkyl or aroxyethoxyethyl derivatives of piperazine on the cardiovascular and the central nervous systems.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A and Adrenergic receptor beta, Uniprot P08908 and P18090
DOI: 10.7270/q24x59hh
title: BindingDB Entry 50045864: Discovery of tricyclic indoles that potently inhibit Mcl-1 using fragment-based methods and structure-based design.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-xL/BAK, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, and Q07820
DOI: 10.7270/q27w6f29
title: BindingDB Entry 50047419: Discovery and optimization of 1,7-disubstituted-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-ones as potent and selective PKC¿ inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase), Casein kinase I isoform delta, Cyclin-Dependent Kinase 2 (CDK2), Dual specificity mitogen-activated protein kinase kinase 1, Dual specificty protein kinase CLK1, Ephrin receptor, Epidermal growth factor receptor, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Glycogen synthase kinase-3, Hepatocyte growth factor receptor, Insulin receptor, Interleukin-1 receptor-associated kinase 4, MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14, Mitogen-activated protein kinase 3, Mitogen-activated protein kinase kinase kinase 5, Neurotrophic tyrosine kinase receptor, PI3-kinase subunit alpha, PKC alpha and beta-2, Protein kinase C (PKC), Protein kinase C alpha type, Protein kinase C delta type, Protein kinase C theta type, Rho-associated protein kinase, Serine/threonine-protein kinase Chk1, Serine/threonine-protein kinase PLK1, Tyrosine-protein kinase JAK1, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot O00311, O14757, O75116, P00533, P04629, P05771, P06213, P08581, P12931, P17252, P20248, P23458, P24941, P27361, P35968, P42336, P48730, P49137, P49759, P49841, P53350, P54756, Q02750, Q04759, Q05397, Q05513, Q05655, Q13464, Q16539, Q96GD4, Q99683, and Q9NWZ3
DOI: 10.7270/q28917t7
title: BindingDB Entry 50047924: Identification of methionine aminopeptidase 2 as a molecular target of the organoselenium drug ebselen and its derivatives/analogues: Synthesis, inhibitory activity and molecular modeling study.

description: Small molecule binding data for protein Microtubule-associated protein 2, Uniprot P11137
DOI: 10.7270/q2cj8gdr
title: BindingDB Entry 50047418: Optimization of amide-based EP3 receptor antagonists.

description: Small molecule binding data for protein Prostaglandin E2 receptor, Prostaglandin E2 receptor EP1 subtype (EP1), Prostaglandin E2 receptor EP2 subtype (EP2), and Prostaglandin E2 receptor EP4 subtype (EP4), Uniprot P34995, P35408, P43115, and P43116
DOI: 10.7270/q2cr5w5h
title: BindingDB Entry 50046392: Structure-Activity and Structure-Property Relationship and Exploratory in Vivo Evaluation of the Nanomolar Keap1-Nrf2 Protein-Protein Interaction Inhibitor.

description: Small molecule binding data for protein Nuclear factor erythroid 2-related factor 2, Uniprot Q16236
DOI: 10.7270/q2cz394b
title: BindingDB Entry 50047923: Design, synthesis, and biological evaluation ofa-hydroxyacyl-AMS inhibitors of amino acid adenylation enzymes.

description: Small molecule binding data for protein Yersiniabactin biosynthetic protein
DOI: 10.7270/q2d50psn
title: BindingDB Entry 50046895: Structural insights into mechanisms for inhibiting amyloidß42 aggregation by non-catechol-type flavonoids.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot P05067
DOI: 10.7270/q2h41t4r
title: BindingDB Entry 50045869: Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors.

description: Small molecule binding data for protein Rho-associated protein kinase, Uniprot O75116 and Q13464
DOI: 10.7270/q2h99731
title: BindingDB Entry 50047417: Discovery and structure activity relationship study of novel indazole amide inhibitors for extracellular signal-regulated kinase1/2 (ERK1/2).

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Ephrin receptor, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Fibroblast growth factor receptor 1, Hepatocyte growth factor receptor, Insulin-like growth factor I receptor, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, MAP kinase ERK2, Mitogen-activated protein kinase 3, Platelet-derived growth factor receptor beta, Tyrosine-protein kinase ABL1, VEGF-receptor 2 and tyrosine-protein kinase SRC, Vascular endothelial growth factor receptor, and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P00519, P00533, P04626, P07949, P08069, P08581, P09619, P11362, P12931, P17948, P27361, P28482, P29317, P35968, and Q9UM73
DOI: 10.7270/q2hh6mvc
title: BindingDB Entry 50046391: The N-Terminal T-T Motif of a Third-Generation HIV-1 Fusion Inhibitor Is Not Required for Binding Affinity and Antiviral Activity.

description: Small molecule binding data for protein HIV-1 B HXB2-LAI-IIIB-BRU, Uniprot P04578
DOI: 10.7270/q2hx1fgm
title: BindingDB Entry 50046894: 9-Benzoyl 9-deazaguanines as potent xanthine oxidase inhibitors.

description: Small molecule binding data for protein Xanthine oxidase, Uniprot P47989
DOI: 10.7270/q2mw2jvr
title: BindingDB Entry 50045868: Highly Selective Phosphatidylinositol 4-Kinase IIIß Inhibitors and Structural Insight into Their Mode of Action.

description: Small molecule binding data for protein Phosphatidylinositol 4-kinase type 2-alpha, Uniprot Q9BTU6
DOI: 10.7270/q2n29ztz
title: BindingDB Entry 50047416: Discovery of indirubin derivatives as new class of DRAK2 inhibitors from high throughput screening.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Death-associated protein kinase 1, Death-associated protein kinase 2, Death-associated protein kinase 3, Epidermal growth factor receptor, Hepatocyte growth factor receptor, Insulin receptor, Maternal embryonic leucine zipper kinase, Serine/threonine-protein kinase 17A, Serine/threonine-protein kinase 17B (STK17B), and Tyrosine kinase non-receptor protein 2, Uniprot O43293, O94768, P00533, P04626, P06213, P08581, P21860, P53355, Q07912, Q14680, Q15303, Q9UEE5, Q9UIK4, and Q9UM73
DOI: 10.7270/q2n87ck3
title: BindingDB Entry 50046390: Structural and computational study on inhibitory compounds for endonuclease activity of influenza virus polymerase.

description: Small molecule binding data for protein PA/PB1, Uniprot P03433
DOI: 10.7270/q2ng4sk0
title: BindingDB Entry 50047921: Antivirulence C-Mannosides as Antibiotic-Sparing, Oral Therapeutics for Urinary Tract Infections.

description: Small molecule binding data for protein Type 1 fimbiral adhesin FimH
DOI: 10.7270/q2np267s
title: BindingDB Entry 50046893: Structure-based design, synthesis, and biological evaluation of Leu-Arg dipeptide analogs as novel hepsin inhibitors.

description: Small molecule binding data for protein Hepsin and Suppressor of tumorigenicity 14 protein homolog, Uniprot P05981 and P56677
DOI: 10.7270/q2rn39kg
title: BindingDB Entry 50045867: 6-Substituted sulfocoumarins are selective carbonic anhdydrase IX and XII inhibitors with significant cytotoxicity against colorectal cancer cells.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2rv0qkc
title: BindingDB Entry 50047415: Potent, selective and orally bioavailable leucine-rich repeat kinase 2 (LRRK2) inhibitors.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Uniprot Q5S007
DOI: 10.7270/q2s1849t
title: BindingDB Entry 50046389: N-Sulfonyl-aminobiaryls as Antitubulin Agents and Inhibitors of Signal Transducers and Activators of Transcription 3 (STAT3) Signaling.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2s75j88
title: BindingDB Entry 50047920: Synthesis and evaluation of dihydropyrimidinone-derived selenoesters as multi-targeted directed compounds against Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2sf2z0k
title: BindingDB Entry 50046892: A dimeric urea of the bisabolene sesquiterpene from the Okinawan marine sponge Axinyssa sp. inhibits protein tyrosine phosphatase 1B activity in Huh-7 human hepatoma cells.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2wd4296
title: BindingDB Entry 50045866: HM30181 Derivatives as Novel Potent and Selective Inhibitors of the Breast Cancer Resistance Protein (BCRP/ABCG2).

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2 and P-glycoprotein 1, Uniprot P08183 and Q9UNQ0
DOI: 10.7270/q2ws8w29
title: BindingDB Entry 50046388: Optimization of permethyl ningalin B analogs as P-glycoprotein inhibitors.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q2x63pss
title: BindingDB Entry 50046891: Discovery of novel hybrids of diaryl-1,2,4-triazoles and caffeic acid as dual inhibitors of cyclooxygenase-2 and 5-lipoxygenase for cancer therapy.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Uniprot P12527
DOI: 10.7270/q2057hp5
title: BindingDB Entry 50045873: Design, synthesis, and antitumor evaluation of novel histone deacetylase inhibitors equipped with a phenylsulfonylfuroxan module as a nitric oxide donor.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 3/NCoR1, Histone deacetylase 4, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q92769, Q96DB2, Q9BY41, and Q9UBN7
DOI: 10.7270/q20c4xnm
title: BindingDB Entry 50047421: Design, synthesis and biological evaluation of pyrazolylaminoquinazoline derivatives as highly potent pan-fibroblast growth factor receptor inhibitors.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, and Vascular endothelial growth factor receptor 2, Uniprot P11362, P21802, P22455, P22607, and P35968
DOI: 10.7270/q20k2bc9
title: BindingDB Entry 50046395: Chemical Biology of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Uniprot Q5S007
DOI: 10.7270/q20r9rcn
title: BindingDB Entry 50047926: Cyclic peptide-based potent and selective SIRT1/2 dual inhibitors harboring N

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 1, NAD-dependent deacetylase sirtuin 2, NAD-dependent deacetylase sirtuin 3, NAD-dependent protein deacetylase sirtuin-5 (SIRT5), and Sirtuin-6 (SIRT6), Uniprot Q8IXJ6, Q8N6T7, Q96EB6, Q9NTG7, and Q9NXA8