cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q269766d
title: BindingDB Entry 50002521: Novel Hypoxia-Inducible Factor 1α (HIF-1α) Inhibitors for Angiogenesis-Related Ocular Diseases: Discovery of a Novel Scaffold via Ring-Truncation Strategy.

description: Small molecule binding data for protein Hypoxia-inducible factor 1-alpha, Uniprot D0VY79 and Q16665
DOI: 10.7270/q22j6fgp
title: BindingDB Entry 50002522: Precedence and Promise of Covalent Inhibitors of EGFR and KRAS for Patients with Non-Small-Cell Lung Cancer.

description: Small molecule binding data for protein GTPase KRas, Uniprot L7RSL8 and P01116
DOI: 10.7270/q2xs5z0d
title: BindingDB Entry 50002523: 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, and 5-hydroxytryptamine receptor 2C, Uniprot P28223, P28335, and P41595
DOI: 10.7270/q2t1567x
title: BindingDB Entry 50002524: Potential of PDE10A Inhibitors as Treatment for Schizophrenia and Other Neurological Disorders.

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot A0A1B1UZR0 and Q9Y233
DOI: 10.7270/q2p84fh6
title: BindingDB Entry 50002525: GPR40 Receptor Agonists for the Treatment of Type 2 Diabetes and Related Diseases.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2jh3ptx
title: BindingDB Entry 50002527: Design, Synthesis, and Blood-Brain Barrier Transport Study of Pyrilamine Derivatives as Histone Deacetylase Inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 10, Histone deacetylase 2, and Histone deacetylase 3/Nuclear receptor corepressor 2, Uniprot O15379, Q13547, Q6IT96, Q92769, Q969S8, and Q9Y618
DOI: 10.7270/q2dv1nhx
title: BindingDB Entry 50002528: Peptidomimetics for Targeting Protein-Protein Interactions between DOT1L and MLL Oncofusion Proteins AF9 and ENL.

description: Small molecule binding data for protein Protein AF-9 and Protein ENL, Uniprot A0A0S2Z448, P42568, and Q03111
DOI: 10.7270/q2930wtz
title: BindingDB Entry 50002529: A Series of Indole-Thiazole Derivatives Act as GPER Agonists and Inhibit Breast Cancer Cell Growth.

description: Small molecule binding data for protein G-protein coupled estrogen receptor 1, Uniprot A0A024R849 and Q99527
DOI: 10.7270/q25b054g
title: BindingDB Entry 50002530: Deciphering Binding Interactions of IL-23R with HDX-MS: Mapping Protein and Macrocyclic Dodecapeptide Ligands.

description: Small molecule binding data for protein Interleukin-23 receptor, Uniprot Q5VWK5
DOI: 10.7270/q21j9dd6
title: BindingDB Entry 50002531: SAR of 4-Alkoxybenzoic Acid Inhibitors of the Trypanosome Alternative Oxidase.

description: Small molecule binding data for protein Alternative oxidase, mitochondrial, Uniprot Q26710
DOI: 10.7270/q2ws8wvm
title: BindingDB Entry 50002532: Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.

description: Small molecule binding data for protein CREB-binding protein/Histone acetyltransferase p300, Uniprot Q92793
DOI: 10.7270/q2s18540
title: BindingDB Entry 50002534: Heterocoumarins Are Selective Carbonic Anhydrase IX and XII Inhibitors with Cytotoxic Effects against Cancer Cells Lines.

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/q2nc63tk
title: BindingDB Entry 50002535: Synthesis and Antiviral Evaluation of Carbocyclic Nucleoside Analogs of Nucleoside Reverse Transcriptase Translocation Inhibitor MK-8591 (4'-Ethynyl-2-fluoro-2'-deoxyadenosine).

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2hm5c38
title: BindingDB Entry 50002536: Structurally Diverse Sesquiterpenoids from the Endangered Ornamental Plant Michelia shiluensis.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot A8K3M3 and P18031
DOI: 10.7270/q2cv4md0
title: BindingDB Entry 50002537: Discovery of a Small-Molecule Degrader of Bromodomain and Extra-Terminal (BET) Proteins with Picomolar Cellular Potencies and Capable of Achieving Tumor Regression.

description: Small molecule binding data for protein Bromodomain-containing protein 2, Bromodomain-containing protein 3, and Bromodomain-containing protein 4, Uniprot A0A024R8H6, A0A024RCR5, O60885, P25440, and Q15059
DOI: 10.7270/q2833vpk
title: BindingDB Entry 50002538: Synthesis and biological activity of novel tert-amylphenoxyalkyl (homo)piperidine derivatives as histamine H

description: Small molecule binding data for protein Cytochrome P450 3A, Histamine H3 receptor, and Histamine receptor (H3 and H4), Uniprot P08684, Q6GRK0, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q24b33z7
title: BindingDB Entry 50002539: Chemically Induced Degradation of Sirtuin 2 (Sirt2) by a Proteolysis Targeting Chimera (PROTAC) Based on Sirtuin Rearranging Ligands (SirReals).

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 1, NAD-dependent deacetylase sirtuin 2, and NAD-dependent deacetylase sirtuin 3, Uniprot A0A024QZQ1, Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q20k2c6g
title: BindingDB Entry 50002541: Lead Optimization of Benzoxepin-Type Selective Estrogen Receptor (ER) Modulators and Downregulators with Subtype-Specific ERα and ERβ Activity.

description: Small molecule binding data for protein Estrogen receptor, Uniprot G4XH65, P03372, Q7LCB3, and Q92731
DOI: 10.7270/q2vt1vr7
title: BindingDB Entry 50002543: Development of Protein Degradation Inducers of Androgen Receptor by Conjugation of Androgen Receptor Ligands and Inhibitor of Apoptosis Protein Ligands.

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2r49tc3
title: BindingDB Entry 50002544: Impact of Target Warhead and Linkage Vector on Inducing Protein Degradation: Comparison of Bromodomain and Extra-Terminal (BET) Degraders Derived from Triazolodiazepine (JQ1) and Tetrahydroquinoline (I-BET726) BET Inhibitor Scaffolds.

description: Small molecule binding data for protein Bromodomain-containing protein 4 and Transcription elongation factor B polypeptide 1, Uniprot A0A024R7Y5, O60885, and Q15369
DOI: 10.7270/q2mc92nr
title: BindingDB Entry 50002545: Progress in the discovery of small molecule modulators of the Cys-loop superfamily receptors.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 3A/3C, 5-hydroxytryptamine receptor 3A/3E, GABA receptor alpha-1/beta-1/gamma-2 subunit, GABA receptor alpha-1/beta-3/gamma-2 subunit, GABA receptor alpha-2/beta-3/gamma-2 subunit, GABA receptor alpha-3/beta-3/gamma-2 subunit, GABA receptor alpha-5/beta-3/gamma-2 subunit, GABA receptor alpha-6/beta-3/gamma-2 subunit, Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2, Gamma-aminobutyric acid receptor subunit alpha-2/beta-3/gamma-2, Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2, Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/delta, Gamma-aminobutyric acid receptor subunit gamma-2, Glycine receptor alpha-3/beta, Glycine receptor subunit alpha-1, Glycine receptor subunit alpha-2/beta, Neuronal acetylcholine receptor, Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit, Neuronal acetylcholine receptor protein alpha-7 subunit, Nicotinic acetylcholine receptor alpha2/beta2, Nicotinic acetylcholine receptor alpha2/beta4, and Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot A0A024R9X6, A5X5Y0, O14764, O75311, O95264, P02708, P14867, P17787, P18505, P18507, P18508, P19969, P20236, P22723, P23415, P23416, P23576, P28472, P30926, P31644, P34903, P36544, P43681, P46098, P47869, P47870, P48167, P48169, P62813, P63079, Q05941, Q16445, Q5SXY3, Q8WXA8, X5D7F5, and X5DNL6
DOI: 10.7270/q2gm89zg
title: BindingDB Entry 50002548: Identification and Characterization of Von Hippel-Lindau-Recruiting Proteolysis Targeting Chimeras (PROTACs) of TANK-Binding Kinase 1.

description: Small molecule binding data for protein Inhibitor of nuclear factor kappa-B kinase subunit epsilon, Serine/threonine-protein kinase TBK1, and von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A, Uniprot A0A024R2F2, A0A024R7Y5, D0VY79, P40337, Q14164, Q15369, Q15370, Q16665, and Q9UHD2
DOI: 10.7270/q2bv7k8m
title: BindingDB Entry 50002549: Triple Reuptake Inhibitors as Potential Therapeutics for Depression and Other Disorders: Design Paradigm and Developmental Challenges.

description: Small molecule binding data for protein Monoamine transporter, Monoamine transporters; Norepininephrine & dopamine, Sodium-dependent dopamine transporter, and Sodium-dependent serotonin transporter, Uniprot A0A024R6T9, P23975, P23977, P31645, P31652, Q01959, and Q9WTR4
DOI: 10.7270/q2736tj6
title: BindingDB Entry 50002550: Group-Based Optimization of Potent and Cell-Active Inhibitors of the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase: Structure-Activity Relationships Leading to the Chemical Probe (2S,4R)-1-((S)-2-(1-Cyanocyclopropanecarboxamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrroli

description: Small molecule binding data for protein Transcription elongation factor B polypeptide 1, Uniprot A0A024R7Y5 and Q15369
DOI: 10.7270/q23b62rz
title: BindingDB Entry 50002551: Modulation of Glycine-Mediated Spinal Neurotransmission for the Treatment of Chronic Pain.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2A, Glycine receptor alpha-3/beta, Glycine receptor subunit alpha-1, Glycine receptor subunit alpha-3, Glycine transporter 1, and Glycine transporter 2, Uniprot O75311, P23415, P28223, P48067, P48167, Q64018, Q91XP5, and Q9Y345
DOI: 10.7270/q2zk5k94
title: BindingDB Entry 50002552: Beyond the Rule of 5: Lessons Learned from AbbVie's Drugs and Compound Collection.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 and Bcl-2-like protein 1, Uniprot A0A024R2B3, A0A0S2Z3C5, P10415, and Q07817
DOI: 10.7270/q2tx3j04
title: BindingDB Entry 50002553: Challenges in the design of insulin and relaxin/insulin-like peptide mimetics.

description: Small molecule binding data for protein Insulin receptor, Uniprot P06213 and P15208
DOI: 10.7270/q2q52s8q
title: BindingDB Entry 50002554: Peptide therapeutics from venom: Current status and potential.

description: Small molecule binding data for protein Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon, Sodium channel protein type 2 alpha subunit, Sodium channel protein type 5 subunit alpha, Sodium channel protein type 8 subunit alpha, Sodium channel protein type 9 subunit alpha, and Transient receptor potential cation channel subfamily V member 6, Uniprot Q04844, Q14524, Q15858, Q99250, Q9H1D0, and Q9UQD0
DOI: 10.7270/q2kd21jc
title: BindingDB Entry 50002555: Fragment-based design, synthesis, biological evaluation, and SAR of 1H-benzo[d]imidazol-2-yl)-1H-indazol derivatives as potent PDK1 inhibitors.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Uniprot O15530
DOI: 10.7270/q2fn18tn
title: BindingDB Entry 50002557: Optimization of peptide-based polyagonists for treatment of diabetes and obesity.

description: Small molecule binding data for protein Gastric inhibitory polypeptide receptor, Glucagon receptor, and Glucagon-like peptide 1 receptor, Uniprot O35659, P43220, P47871, P48546, and Q61606
DOI: 10.7270/q29w0j3b
title: BindingDB Entry 50002559: Cyclin-Dependent Kinase 8: A New Hope in Targeted Cancer Therapy?

description: Small molecule binding data for protein BRAF/CRAF, CDK-interacting protein 1, Cyclin-C, Cyclin-dependent kinase 19, Cyclin-dependent kinase 8, Cyclin-dependent kinase 8/Cyclin-C, Cyclin-dependent kinase 9, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Macrophage colony-stimulating factor 1 receptor, Mast/stem cell growth factor receptor Kit, RAF proto-oncogene serine/threonine-protein kinase, Rho-associated protein kinase 1, Rho-associated protein kinase 2, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), Vascular endothelial growth factor receptor 1, Vascular endothelial growth factor receptor 2, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024R880, A0A024RCX5, A0A2P9DU05, L7RRS6, L7RSL3, O75116, P04049, P07333, P09619, P10721, P15056, P17948, P24863, P35916, P35918, P35968, P36888, P38936, P49336, P50750, Q13464, Q62447, Q7Z4L3, Q8R3L8, and Q9BWU1
DOI: 10.7270/q2639sbx
title: BindingDB Entry 50002560: Synthesis and biological evaluation of 6-substituted-5-fluorouridine ProTides.

description: Small molecule binding data for protein Orotate phosphoribosyltransferase (HsOPRT), Orotidine Monophosphate Decarboxylase (ODCase), and Orotidine phosphate decarboxylase, Uniprot A8K5J1, O26232, P03962, and P11172
DOI: 10.7270/q22b91n1
title: BindingDB Entry 50002561: Antiobesity and emetic effects of a short-length peptide YY analog and its PEGylated and alkylated derivatives.

description: Small molecule binding data for protein Neuropeptide Y receptor type 2, Uniprot P49146
DOI: 10.7270/q2xp77k2
title: BindingDB Entry 50002562: Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.

description: Small molecule binding data for protein MAP kinase p38 and Mitogen-activated protein kinase 14, Uniprot A0A024RD04, A0A024RD15, O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q2sx6gws
title: BindingDB Entry 50002566: Identification of highly potent and orally available free fatty acid receptor 1 agonists bearing isoxazole scaffold.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842
DOI: 10.7270/q2p55r5s
title: BindingDB Entry 50002568: Recent Advances of Colony-Stimulating Factor-1 Receptor (CSF-1R) Kinase and Its Inhibitors.

description: Small molecule binding data for protein Macrophage colony-stimulating factor 1 receptor, Mast/stem cell growth factor receptor Kit, Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase receptor FLT3, Uniprot A0A024R7E4, O60674, P07333, P10721, P29597, and P36888
DOI: 10.7270/q2jd50ff
title: BindingDB Entry 50002571: Discovery of new thienopyrimidine derivatives as potent and orally efficacious phosphoinositide 3-kinase 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, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, and mTOR/FKBP12A/FKBP12B, Uniprot A0A024R720, A0A2K8FKV1, O00329, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2dn47p8
title: BindingDB Entry 50002573: Discovery of EBI-1051: A novel and orally efficacious MEK inhibitor with benzofuran scaffold.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase, Uniprot A4QPA9 and Q02750
DOI: 10.7270/q28w3gx3
title: BindingDB Entry 50002574: Design, synthesis and evaluation of γ-turn mimetics as LSD1-selective inhibitors.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, P27338, and Q53YE7
DOI: 10.7270/q2542r7j
title: BindingDB Entry 50002575: Identification of novel quinazolinedione derivatives as RORγt inverse agonist.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma (RORC), Uniprot P51449 and Q6I9R9
DOI: 10.7270/q21g0pwp
title: BindingDB Entry 50002576: In silico studies, synthesis and pharmacological evaluation to explore multi-targeted approach for imidazole analogues as potential cholinesterase inhibitors with neuroprotective role for Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and Cholinesterases; ACHE & BCHE, Uniprot O42275, P22303, and P81908
DOI: 10.7270/q2wq06f7
title: BindingDB Entry 50002577: Probing biological activity through structural modelling of ligand-receptor interactions of 2,4-disubstituted thiazole retinoids.

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/q2rx9fqz
title: BindingDB Entry 50002580: New histone demethylase LSD1 inhibitor selectively targets teratocarcinoma and embryonic carcinoma cells.

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2n58q0z
title: BindingDB Entry 50002581: Development of selective inhibitors for the treatment of rheumatoid arthritis: (R)-3-(3-(Methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)pyrrolidin-1-yl)-3-oxopropanenitrile as a JAK1-selective inhibitor.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot A0A024R7E4, A0A024R7M7, O60674, P23458, P29597, P40989, and P52333
DOI: 10.7270/q2hd7z87
title: BindingDB Entry 50002582: Methyllucidone inhibits STAT3 activity by regulating the expression of the protein tyrosine phosphatase MEG2 in DU145 prostate carcinoma cells.

description: Small molecule binding data for protein Protein Farnesyltransferase (PFT), Uniprot A0A384MEJ5, P49354, and P49356
DOI: 10.7270/q2cn76hf
title: BindingDB Entry 50002583: Discovery of DSP-1053, a novel benzylpiperidine derivative with potent serotonin transporter inhibitory activity and partial 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin transporter, Uniprot P08908, P31645, and Q5ZGX3
DOI: 10.7270/q27w6ft5
title: BindingDB Entry 50002584: Discovery of novel 4-aryl-thieno[1,4]diazepin-2-one derivatives targeting multiple protein kinases as anticancer agents.

description: Small molecule binding data for protein Macrophage colony-stimulating factor 1 receptor, Proto-oncogene tyrosine-protein kinase receptor Ret, Tyrosine-protein kinase receptor FLT3, and VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), Uniprot A0A024R7T2, P07333, P07949, P09619, and P36888
DOI: 10.7270/q2474dg1
title: BindingDB Entry 50002585: Discovery of 1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazoles as novel class of corticotropin releasing factor 1 receptor antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor 1 and Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein, Uniprot A0A090N7T4, P34998, and Q13324
DOI: 10.7270/q20g3nsr
title: BindingDB Entry 50002586: Reduction of Circulating Cancer Cells and Metastases in Breast-Cancer Models by a Potent EphA2-Agonistic Peptide-Drug Conjugate.

description: Small molecule binding data for protein Ephrin type-A receptor 2, Uniprot A0A024QZA8 and P29317
DOI: 10.7270/q2vq359v
title: BindingDB Entry 50002587: Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors.

description: Small molecule binding data for protein D-Amino Acid Oxidase (DAAO) and D-amino-acid oxidase, Uniprot A0A024RBI1, P00371, and P14920
DOI: 10.7270/q2qz2dk4
title: BindingDB Entry 50002588: Development of benzoxazole deoxybenzoin oxime and acyloxylamine derivatives targeting innate immune sensors and xanthine oxidase for treatment of gout.

description: Small molecule binding data for protein NLRP3 protein, Toll-like receptor 4, and Xanthine dehydrogenase, Uniprot O00206, P47989, and Q96P20
DOI: 10.7270/q2m61nvq
title: BindingDB Entry 50002589: Investigation of multi-target-directed ligands (MTDLs) with butyrylcholinesterase (BuChE) and indoleamine 2,3-dioxygenase 1 (IDO1) inhibition: The design, synthesis of miconazole analogues targeting Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and Indoleamine 2,3-dioxygenase, Uniprot A0A348GSI3, O42275, P14902, and P81908
DOI: 10.7270/q2gf0x3z
title: BindingDB Entry 50002591: Novel 4-aminoquinazoline derivatives induce growth inhibition, cell cycle arrest and apoptosis via PI3Kα inhibition.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphoinositide 3-Kinase (PI3K), delta, p110α/p85α, and p110β/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P42336, P42338, and P48736
DOI: 10.7270/q2bp05d2
title: BindingDB Entry 50002592: Targeting RORs nuclear receptors by novel synthetic steroidal inverse agonists for autoimmune disorders.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma (RORC), Uniprot P51449 and Q6I9R9
DOI: 10.7270/q270842c
title: BindingDB Entry 50002593: Pharmacophore requirements for HIV-1 reverse transcriptase inhibitors that selectively "Freeze" the pre-translocated complex during the polymerization catalytic cycle.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Human immunodeficiency virus type 1 reverse transcriptase, and Reverse transcriptase, Uniprot Q72547, Q8JXU8, and Q9WKE8
DOI: 10.7270/q2377cc3
title: BindingDB Entry 50002595: Design and synthesis of 1-(1-benzothiophen-7-yl)-1H-pyrazole, a novel series of G protein-coupled receptor 52 (GPR52) agonists.

description: Small molecule binding data for protein Probable G-protein coupled receptor 52, Uniprot F2YGU0 and Q9Y2T5
DOI: 10.7270/q2zg6vwd
title: BindingDB Entry 50002596: Synthesis and evaluation of substituted 4-arylimino-3-hydroxybutanoic acids as potential HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2tq645g
title: BindingDB Entry 50002597: Structure-activity relationships for analogs of the tuberculosis drug bedaquiline with the naphthalene unit replaced by bicyclic heterocycles.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Cytochrome P450 3A, Uniprot P08684, P40989, and Q6GRK0
DOI: 10.7270/q2pz5cfr
title: BindingDB Entry 50002598: Synthesis of 3-aza[4.4.3]propellanes with high σ

description: Small molecule binding data for protein Sigma intracellular receptor 2 and Sigma-1 receptor, Uniprot Q5U3Y7 and Q60492
DOI: 10.7270/q2k64mqb
title: BindingDB Entry 50002599: Design, synthesis and biological evaluation of novel 7-azaspiro[3.5]nonane derivatives as GPR119 agonists.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, and Glucose-dependent insulinotropic receptor, Uniprot P05177, P11712, P33261, Q8TDV5, and S5RV20
DOI: 10.7270/q2ff3w1g
title: BindingDB Entry 50002600: Discovery of selective EGFR modulator to inhibit L858R/T790M double mutants bearing a N-9-Diphenyl-9H-purin-2-amine scaffold.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533