cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2n87f43
title: BindingDB Entry 50007862: Design, synthesis and antitumor study of a series of N-Cyclic sulfamoylaminoethyl substituted 1,2,5-oxadiazol-3-amines as new indoleamine 2, 3-dioxygenase 1 (IDO1) inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and Indoleamine 2,3-dioxygenase 1, Uniprot P14902 and P40989
DOI: 10.7270/q2n87f5j
title: BindingDB Entry 50008198: Probing the Ligand-Binding Pocket of BTN3A1.

description: Small molecule binding data for protein Butyrophilin subfamily 3 member A1, Uniprot O00481
DOI: 10.7270/q2n87f60
title: BindingDB Entry 50008853: Synthesis of oxytocin derivatives lipidated via a carbonate or carbamate linkage as a long-acting therapeutic agent for social impairment-like behaviors.

description: Small molecule binding data for protein Oxytocin receptor, Vasopressin V1a receptor, and Vasopressin V1b receptor, Uniprot P30559, P37288, and P47901
DOI: 10.7270/q2n87f7f
title: BindingDB Entry 50009465: Optimization of the chromone scaffold through QSAR and docking studies: Identification of potent inhibitors of ABCG2.

description: Small molecule binding data for protein Broad substrate specificity ATP-binding cassette transporter ABCG2, Uniprot Q9UNQ0
DOI: 10.7270/q2n87f8w
title: BindingDB Entry 50010082: Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase, H3 lysine-79 specific, Uniprot Q8TEK3
DOI: 10.7270/q2n87f9b
title: BindingDB Entry 50010375: Discovery and SARs of 5-Chloro-

description: Small molecule binding data for protein Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-K, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 6/G1/S-specific cyclin-D3, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot O60563, O75909, P05177, P08684, P10635, P11712, P20248, P24941, P30281, P33261, P50750, and Q00534
DOI: 10.7270/q2n87fbs
title: BindingDB Entry 50010635: Exploring the Implication of DDX3X in DENV Infection: Discovery of the First-in-Class DDX3X Fluorescent Inhibitor.

description: Small molecule binding data for protein ATP-dependent RNA helicase DDX3X, Uniprot O00571
DOI: 10.7270/q2n87fc7
title: BindingDB Entry 50010989: A cell-based fluorescent assay for FAP inhibitor discovery.

description: Small molecule binding data for protein Acyl-protein thioesterase 1, Uniprot P70470
DOI: 10.7270/q2n87fdp
title: BindingDB Entry 50011616: In Vivo Biological Evaluation of a Synthetic Royleanone Derivative as a Promising Fast-Acting Trypanocidal Agent by Inducing Mitochondrial-Dependent Necrosis.

description: Small molecule binding data for protein Superoxide dismutase [Cu-Zn], Uniprot P00441
DOI: 10.7270/q2n87ff4
title: BindingDB Entry 50012240: Development of dual inhibitors targeting pyruvate dehydrogenase kinases and human lactate dehydrogenase A: High-throughput virtual screening, synthesis and biological validation.

description: Small molecule binding data for protein L-lactate dehydrogenase A chain, Uniprot P00338
DOI: 10.7270/q2n87fgk
title: BindingDB Entry 50012860: The multifunctional dopamine D

description: Small molecule binding data for protein Microtubule-associated protein tau, Uniprot P10636
DOI: 10.7270/q2n87fh1
title: BindingDB Entry 50013507: Mapping Chromone-3-Phenylcarboxamide Pharmacophore:

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2n87fjg
title: BindingDB Entry 50013855: Tricyclic-Carbocyclic RORγt Inverse Agonists-Discovery of BMS-986313.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, Nuclear receptor ROR-gamma, Nuclear receptor subfamily 1 group I member 2, Oxysterols receptor LXR-alpha, and Oxysterols receptor LXR-beta, Uniprot O75469, P05177, P08684, P10632, P10635, P11712, P33261, P35398, P40989, P51449, P51450, P55055, Q13133, and Q92753
DOI: 10.7270/q2n87fkx
title: BindingDB Entry 50014162: Discovery of GSK251: A Highly Potent, Highly Selective, Orally Bioavailable Inhibitor of PI3Kδ with a Novel Binding Mode.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Phosphatidylinositol 3-kinase catalytic subunit type 3, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P27986, P40989, P42336, P42338, P48736, and Q8NEB9
DOI: 10.7270/q2n87fmc
title: BindingDB Entry 50014514: Synthesis, biological, and photophysical studies of molecular rotor-based fluorescent inhibitors of the trypanosome alternative oxidase.

description: Small molecule binding data for protein Alternative oxidase, mitochondrial, Uniprot Q26710
DOI: 10.7270/q2nc648t
title: BindingDB Entry 9366: Crystalline forms of a lysyl oxidase-like 2 inhibitor and methods of making

description: Small molecule binding data for protein Lysyl oxidase homolog 2, Uniprot Q9Y4K0
DOI: 10.7270/q2nc6498
title: BindingDB Entry 9753: Beta adrenergic agonist and methods of using the same

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor, Uniprot P07550 and P08588
DOI: 10.7270/q2nc64bq
title: BindingDB Entry 9962: Diacylglycerol acyl transferase 2 inhibitors

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 2, Uniprot Q96PD7
DOI: 10.7270/q2nc64c5
title: BindingDB Entry 10140: Substituted tricyclic compounds as FGFR inhibitors

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, and Fibroblast growth factor receptor 3, Uniprot P11362, P21802, and P22607
DOI: 10.7270/q2nc64dm
title: BindingDB Entry 10349: Sulfonamides as modulators of sodium channels

description: Small molecule binding data for protein Sodium channel protein type 10 subunit alpha, Uniprot Q9Y5Y9
DOI: 10.7270/q2nc64f2
title: BindingDB Entry 10736: Pyrazolopyridine compounds and uses thereof

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 1, Uniprot Q92918
DOI: 10.7270/q2nc64gh
title: BindingDB Entry 50006937: Synthesis, biological evaluation, and docking study of indole aryl sulfonamides as aromatase inhibitors.

description: Small molecule binding data for protein Aromatase, Uniprot P11511
DOI: 10.7270/q2nc64hz
title: BindingDB Entry 50007546: Structure-guided design of antibacterials that allosterically inhibit DNA gyrase.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, DNA gyrase subunit A/B, DNA topoisomerase 2-alpha, and Sodium channel protein type 5 subunit alpha, Uniprot P0AES4, P0AES6, P11388, P40989, and Q14524
DOI: 10.7270/q2nc64jd
title: BindingDB Entry 50008151: Development of potential preclinical candidates with promising in vitro ADME profile for the inhibition of type 1 and type 2 17β-Hydroxysteroid dehydrogenases: Design, synthesis, and biological evaluation.

description: Small molecule binding data for protein 17-beta-hydroxysteroid dehydrogenase type 1, 17-beta-hydroxysteroid dehydrogenase type 2, and Estradiol 17-beta-dehydrogenase 2, Uniprot P14061, P37059, and P51658
DOI: 10.7270/q2nc64kv
title: BindingDB Entry 50008471: The Rise of Molecules Able To Regenerate the Central Nervous System.

description: Small molecule binding data for protein Rho-associated protein kinase 1/2, Uniprot O75116 and Q13464
DOI: 10.7270/q2nc64m9
title: BindingDB Entry 50008796: Structure-Activity Relationships for Itraconazole-Based Triazolone Analogues as Hedgehog Pathway Inhibitors.

description: Small molecule binding data for protein Smoothened homolog, Uniprot P56726
DOI: 10.7270/q2nc64nr
title: BindingDB Entry 50009119: Discovery of Selective, Orally Bioavailable Pyrazolopyridine Inhibitors of Protein Kinase Cθ (PKCθ) That Ameliorate Symptoms of Experimental Autoimmune Encephalomyelitis.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Glycogen synthase kinase-3 beta, Protein kinase C alpha type, Protein kinase C beta type, Protein kinase C delta type, Protein kinase C theta type, Receptor-type tyrosine-protein kinase FLT3, Rho-associated protein kinase 1/2, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, and cAMP-dependent protein kinase catalytic subunit alpha, Uniprot O60674, O75116, P05771, P17252, P17612, P36888, P40989, P49841, P52333, Q04759, Q05655, and Q13464
DOI: 10.7270/q2nc64p6
title: BindingDB Entry 50009756: Calixarene-based phosphinic acids as inhibitors of protein tyrosine phosphatases.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 1, Tyrosine-protein phosphatase non-receptor type 11, Tyrosine-protein phosphatase non-receptor type 2, Tyrosine-protein phosphatase non-receptor type 4, and Tyrosine-protein phosphatase non-receptor type 9, Uniprot P17706, P18031, P29074, P43378, and Q06124
DOI: 10.7270/q2nc64qn
title: BindingDB Entry 50010335: Design, synthesis and cholinesterase inhibitory activity of novel spiropyrrolidine tethered imidazole heterocyclic hybrids.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2nc64r3
title: BindingDB Entry 50010945: Synthesis and cytotoxic effects of 2-thio-3,4-dihydroquinazoline derivatives as novel T-type calcium channel blockers.

description: Small molecule binding data for protein Voltage-dependent T-type calcium channel subunit alpha-1G, Voltage-dependent T-type calcium channel subunit alpha-1H, and Voltage-dependent T-type calcium channel subunit alpha-1I, Uniprot O43497, O95180, and Q9P0X4
DOI: 10.7270/q2nc64sj
title: BindingDB Entry 50011278: 4-Aryl Pyrrolidines as Novel Orally Efficacious Antimalarial Agents. Part 2: 2-Aryl-

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P05177, P08684, P10635, P11712, P33261, and P40989
DOI: 10.7270/q2nc64t0
title: BindingDB Entry 50011572: The food-grade antimicrobial xanthorrhizol targets the enoyl-ACP reductase (FabI) in Escherichia coli.

description: Small molecule binding data for protein Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, Uniprot P0AEK4
DOI: 10.7270/q2nc64vf
title: BindingDB Entry 50011909: Synthesis and biological evaluation of all possible inosine-mixed cyclic dinucleotides that activate different hSTING variants.

description: Small molecule binding data for protein Stimulator of interferon genes protein, Uniprot Q86WV6
DOI: 10.7270/q2nc64ww
title: BindingDB Entry 50012538: Analysis of the aplyronine A-induced protein-protein interaction between actin and tubulin by surface plasmon resonance.

description: Small molecule binding data for protein Actin, alpha skeletal muscle, Uniprot P68135
DOI: 10.7270/q2nc64xb
title: BindingDB Entry 50013171: Indole scaffolds as a promising class of the aryl hydrocarbon receptor ligands.

description: Small molecule binding data for protein Aryl hydrocarbon receptor, Uniprot P35869
DOI: 10.7270/q2nc64zs
title: BindingDB Entry 50013806: Recent progress on HDAC inhibitors with dual targeting capabilities for cancer treatment.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Cyclin-dependent kinase 4, DNA (cytosine-5)-methyltransferase 1, DNA (cytosine-5)-methyltransferase 3A, Epidermal growth factor receptor, Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10, Histone deacetylase 1/2/3/8, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 6, Histone-lysine N-methyltransferase EHMT2, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Uniprot O00329, O15379, O60885, P00533, P11802, P26358, P42336, P42338, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q96KQ7, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, Q9Y618, and Q9Y6K1
DOI: 10.7270/q2nc650n
title: BindingDB Entry 50014461: Novel Triazatricycle 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/q2ng4tq6
title: BindingDB Entry 9157: Xanthine derivatives, their use as a medicament, and pharmaceutical preparations comprising the same

description: Small molecule binding data for protein Tryptophan 5-hydroxylase 1 and Tryptophan 5-hydroxylase 2, Uniprot P17752 and Q8IWU9
DOI: 10.7270/q2ng4trn
title: BindingDB Entry 9544: Pyridine derivative inhibiting RAF kinase and vascular endothelial growth factor receptor, method for preparing same, pharmaceutical composition containing same, and use thereof

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2ng4ts3
title: BindingDB Entry 9931: Indolizine derivatives and their application in medicine

description: Small molecule binding data for protein Egl nine homolog 1, Uniprot Q9GZT9
DOI: 10.7270/q2ng4ttj
title: BindingDB Entry 10318: Cannabinoid receptor antagonists/inverse agonists useful for treating disease conditions, including metabolic disorders and cancers

description: Small molecule binding data for protein Cannabinoid receptor 1, Uniprot P47746
DOI: 10.7270/q2ng4tv0
title: BindingDB Entry 10527: RAD51 inhibitors

description: Small molecule binding data for protein DNA repair protein RAD51 homolog 1, Uniprot Q06609
DOI: 10.7270/q2ng4twf
title: BindingDB Entry 10705: Compounds for targeting mutant huntingtin protein and uses thereof

description: Small molecule binding data for protein Protein cereblon and VHL complex, Uniprot P40337, P62877, Q13617, Q15369, Q15370, and Q8C7D2
DOI: 10.7270/q2ng4txw
title: BindingDB Entry 10914: Macrocyclic chlorine substituted indole derivatives

description: Small molecule binding data for protein Apoptosis regulator Bcl-2/Bcl2-associated agonist of cell death [103-127,M117N], Bcl-2-like protein 1 [1-212]/Bad BH3 Peptide, and Induced myeloid leukemia cell differentiation protein Mcl-1 [173-321]/Noxa BH3 Peptide, Uniprot P10415, P68187, Q07817, Q07820, Q13794, and Q92934
DOI: 10.7270/q2ng4tzb
title: BindingDB Entry 50007202: Design and Evaluation of Potent EGFR Inhibitors through the Incorporation of Macrocyclic Polyamine Moieties into the 4-Anilinoquinazoline Scaffold.

description: Small molecule binding data for protein Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2, Uniprot P00533 and P04626
DOI: 10.7270/q2ng4v06
title: BindingDB Entry 50007819: Use of the 4-Hydroxytriazole Moiety as a Bioisosteric Tool in the Development of Ionotropic Glutamate Receptor Ligands.

description: Small molecule binding data for protein Glutamate receptor 1, Glutamate receptor 2, Glutamate receptor 3, Glutamate receptor 4, Glutamate receptor ionotropic, NMDA 1/2B, Glutamate receptor ionotropic, NMDA 1/2C, and Glutamate receptor ionotropic, NMDA 1/2D, Uniprot P19490, P19491, P19492, P19493, P35439, P42261, P42262, P42263, P48058, Q00960, Q00961, and Q62645
DOI: 10.7270/q2ng4v1n
title: BindingDB Entry 50008419: 4,8-Dimethylcoumarin Inhibitors of Intestinal Anion Exchanger slc26a3 (Downregulated in Adenoma) for Anti-Absorptive Therapy of Constipation.

description: Small molecule binding data for protein Chloride anion exchanger, Uniprot Q9WVC8
DOI: 10.7270/q2ng4v23
title: BindingDB Entry 50009074: Thioether-based 2-aminobenzamide derivatives: Novel HDAC inhibitors with potent in vitro and in vivo antitumor activity.

description: Small molecule binding data for protein Histone deacetylase 1/2/3/4/5/6/7/8/9/11/Polyamine deacetylase HDAC10, Histone deacetylase 2, Histone deacetylase 6, Histone deacetylase 8, and Nuclear receptor corepressor 1, Uniprot O15379, O75376, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2ng4v3j
title: BindingDB Entry 50009413: Neuroactive Steroid

description: Small molecule binding data for protein Glutamate receptor ionotropic, NMDA 1/2A and Glutamate receptor ionotropic, NMDA 1/2B, Uniprot P35439, Q00959, Q05586, Q12879, and Q13224
DOI: 10.7270/q2ng4v40
title: BindingDB Entry 50009703: Overview of the Development of Glutaminase Inhibitors: Achievements and Future Directions.

description: Small molecule binding data for protein Glutaminase kidney isoform, mitochondrial and Glutaminase liver isoform, mitochondrial, Uniprot O94925 and Q9UI32
DOI: 10.7270/q2ng4v5f
title: BindingDB Entry 50010026: Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions 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, Proton-coupled folate transporter, Reduced folate transporter, and Trifunctional purine biosynthetic protein adenosine-3, Uniprot P14207, P15328, P22102, P41440, and Q96NT5
DOI: 10.7270/q2ng4v6w
title: BindingDB Entry 50010582: Metabolic and Pharmaceutical Aspects of Fluorinated Compounds.

description: Small molecule binding data for protein Adenosylhomocysteinase, Cytochrome P450 2C8, Cytochrome P450 2C9, and Lysine decarboxylase, Uniprot P05033, P10632, P10760, and P11712
DOI: 10.7270/q2ng4v7b
title: BindingDB Entry 50011226: CBP30, a selective CBP/p300 bromodomain inhibitor, suppresses human Th17 responses.

description: Small molecule binding data for protein Bromodomain-containing protein 4, CREB-binding protein, and Histone acetyltransferase p300, Uniprot O60885, Q09472, and Q92793
DOI: 10.7270/q2ng4v8s
title: BindingDB Entry 50011852: Tail approach synthesis of novel benzenesulfonamides incorporating 1,3,4-oxadiazole hybrids as potent inhibitor of carbonic anhydrase I, II, IX, and XII isoenzymes.

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/q2ng4v97
title: BindingDB Entry 50012185: Synthesis and Biological Characterization of Cyclic Disulfide-Containing Peptide Analogs of the Multifunctional Opioid/Neuropeptide FF Receptor Agonists That Produce Long-Lasting and Nontolerant Antinociception.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Neuropeptide FF receptor 1, and Neuropeptide FF receptor 2, Uniprot P35372, P41143, P41145, Q9GZQ6, and Q9Y5X5
DOI: 10.7270/q2ng4vbp
title: BindingDB Entry 50012475: Benzo[d]thiazol-5-yl Compounds as O-GlcNAcase Inhibitors for Treating Alzheimer's Disease.

description: Small molecule binding data for protein Protein O-GlcNAcase, Uniprot O60502
DOI: 10.7270/q2ng4vc4
title: BindingDB Entry 50012809: The design, synthesis and evaluation of 2-aminobenzoxazole analogues as potent and orally efficacious ChemR23 inhibitors.

description: Small molecule binding data for protein Chemerin-like receptor 1, Uniprot Q99788
DOI: 10.7270/q2ng4vdk
title: BindingDB Entry 50013126: Design, synthesis, and biological evaluation of novel xanthone-alkylbenzylamine hybrids as multifunctional agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275 and P81908
DOI: 10.7270/q2ng4vf1
title: BindingDB Entry 50013462: Discovery of Potent and Selective Methylenephosphonic Acid CD73 Inhibitors.

description: Small molecule binding data for protein 5'-nucleotidase, Adenosine receptor A2a, Ectonucleoside triphosphate diphosphohydrolase 1, Ectonucleoside triphosphate diphosphohydrolase 2, Ectonucleoside triphosphate diphosphohydrolase 3, and Ectonucleoside triphosphate diphosphohydrolase 8, Uniprot O75355, P21589, P29274, P49961, Q5MY95, Q61503, and Q9Y5L3
DOI: 10.7270/q2ng4vgg
title: BindingDB Entry 50014108: Design, synthesis, and biological evaluation of novel sulindac derivatives as partial agonists of PPARγ with potential anti-diabetic efficacy.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor gamma and Prostaglandin G/H synthase 2, Uniprot P35354 and P37231
DOI: 10.7270/q2nk3j1k
title: BindingDB Entry 9126: Bicyclic compounds as autotaxin (ATX) and lysophosphatidic acid (LPA) production inhibitors

description: Small molecule binding data for protein Ataxin-2, Uniprot Q99700
DOI: 10.7270/q2nk3j21
title: BindingDB Entry 9335: Benzenesulfonamide compounds and their use as therapeutic agents

description: Small molecule binding data for protein Sodium channel protein type 1 subunit alpha, Sodium channel protein type 5 subunit alpha, and Sodium channel protein type 8 subunit alpha, Uniprot P35498, Q14524, and Q9UQD0
DOI: 10.7270/q2nk3j3g
title: BindingDB Entry 9513: Benzimidazole derivatives as modulators of ROR-gamma

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449
DOI: 10.7270/q2nk3j4x
title: BindingDB Entry 9722: Inhibitors of RAF kinases

description: Small molecule binding data for protein RAF proto-oncogene serine/threonine-protein kinase, Uniprot P04049
DOI: 10.7270/q2nk3j5c
title: BindingDB Entry 10109: Substituted indoline derivatives as dengue viral replication inhibitors

description: Small molecule binding data for protein Genome polyprotein, Uniprot P29990
DOI: 10.7270/q2nk3j6t
title: BindingDB Entry 10496: Benzamide derivatives as PPAR-gamma modulators

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor gamma, Uniprot P37231
DOI: 10.7270/q2nk3j78
title: BindingDB Entry 10883: MACROCYCLES CONTAINING A 1,3,4-OXADIAZOLE RING FOR USE AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR

description: Small molecule binding data for protein Cystic fibrosis transmembrane conductance regulator [1-507,509-1480], Uniprot P13569
DOI: 10.7270/q2nk3j8q
title: BindingDB Entry 50006887: Synthesis of coumarin-sulfonamide derivatives and determination of their cytotoxicity, carbonic anhydrase inhibitory and molecular docking studies.

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/q2nk3j95
title: BindingDB Entry 50007160: Optimization of a fragment linking hit toward Dengue and Zika virus NS5 methyltransferases inhibitors.

description: Small molecule binding data for protein Genome polyprotein, Uniprot P06935, Q32ZE1, and V5TFZ2
DOI: 10.7270/q2nk3jbm
title: BindingDB Entry 50007495: Design, synthesis and biological activity of deuterium-based FFA1 agonists with improved pharmacokinetic profiles.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2nk3jc2
title: BindingDB Entry 50007775: Inhibition of neutral lipid synthesis by avarols from a marine sponge.

description: Small molecule binding data for protein Sterol O-acyltransferase 1 and Sterol O-acyltransferase 2, Uniprot O77759, O77760, and Q60457