cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2f76h5s
title: BindingDB Entry 50011744: Synthesis and Structure-Activity Relationships of Inhibitors That Target the C-Terminal MEEVD on Heat Shock Protein 90.

description: Small molecule binding data for protein Heat shock protein HSP 90-beta, Uniprot P08238
DOI: 10.7270/q2f76h67
title: BindingDB Entry 50012082: Optimizing PEG-Extended Apelin Analogues as Cardioprotective Drug Leads: Importance of the KFRR Motif and Aromatic Head Group for Improved Physiological Activity.

description: Small molecule binding data for protein Apelin receptor, Uniprot P35414 and Q9JHG3
DOI: 10.7270/q2f76h7p
title: BindingDB Entry 50012364: Potent and Specific Inhibition of NTCP-Mediated HBV/HDV Infection and Substrate Transporting by a Novel, Oral-Available Cyclosporine A Analogue.

description: Small molecule binding data for protein Sodium/bile acid cotransporter and Solute carrier organic anion transporter family member 1B1, Uniprot Q14973 and Q9Y6L6
DOI: 10.7270/q2f76h84
title: BindingDB Entry 50012702: Synthesis and evaluation of azalamellarin N and its A-ring-modified analogues as non-covalent inhibitors of the EGFR T790M/L858R mutant.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2f76h9k
title: BindingDB Entry 50013364: Thirty Years of HDAC Inhibitors: 2020 Insight and Hindsight.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, and Polyamine deacetylase HDAC10, Uniprot F1QCV2, O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q2f76hb1
title: BindingDB Entry 50013986: Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease.

description: Small molecule binding data for protein DNA-dependent protein kinase catalytic subunit, Phosphatidylinositol 3-kinase catalytic subunit type 3, Serine-protein kinase ATM, Serine/threonine-protein kinase ATR, and Serine/threonine-protein kinase mTOR, Uniprot P42345, P78527, Q13315, Q13535, and Q8NEB9
DOI: 10.7270/q2f76hcg
title: BindingDB Entry 50014648: Novel Substituted Tetrazoles as ACSS2 Inhibitors for Treating Cancer.

description: Small molecule binding data for protein Acetyl-coenzyme A synthetase, cytoplasmic, Uniprot Q9NR19
DOI: 10.7270/q2fb55zm
title: BindingDB Entry 9058: Spiroindolinones as DDR1 inhibitors

description: Small molecule binding data for protein Epithelial discoidin domain-containing receptor 1, Uniprot Q08345
DOI: 10.7270/q2fb560g
title: BindingDB Entry 9267: Piperidinone formyl peptide 2 receptor and formyl peptide 1 receptor 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/q2fb561x
title: BindingDB Entry 9654: Inhibitors of cyclin-dependent kinases

description: Small molecule binding data for protein Cyclin-dependent kinase 12, Uniprot Q9NYV4
DOI: 10.7270/q2fb562c
title: BindingDB Entry 10041: 6-aryl-4-morpholin-1-ylpyridone compounds useful for the treatment of cancer and diabetes

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase catalytic subunit type 3, Uniprot Q8NEB9
DOI: 10.7270/q2fb563t
title: BindingDB Entry 10428: Isoxazole compounds as inhibitors of heat shock proteins

description: Small molecule binding data for protein ATP-dependent molecular chaperone HSP82, Uniprot P02829
DOI: 10.7270/q2fb5648
title: BindingDB Entry 10637: KRAS mutant protein inhibitors

description: Small molecule binding data for protein GTPase KRas [G12C], Uniprot P01116
DOI: 10.7270/q2fb565q
title: BindingDB Entry 10815: Substituted pyrimidines, pharmaceutical compositions and therapeutic methods thereof

description: Small molecule binding data for protein Cytoplasmic tyrosine-protein kinase BMX, Epidermal growth factor receptor, Focal adhesion kinase 1, Mitogen-activated protein kinase 3, Tyrosine-protein kinase BTK, Tyrosine-protein kinase BTK [C481S], and Tyrosine-protein kinase ITK/TSK, Uniprot P00533, P27361, P51813, Q05397, Q06187, and Q08881
DOI: 10.7270/q2fb5665
title: BindingDB Entry 50006788: How Selective Are Pharmacological Inhibitors of Cell-Cycle-Regulating Cyclin-Dependent Kinases?

description: Small molecule binding data for protein Aurora kinase A, Aurora kinase B, CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7, Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Cyclin-dependent kinase 4/G1/S-specific cyclin-D1, Cyclin-dependent kinase 5 activator 1, Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1, and N-lysine methyltransferase KMT5A, Uniprot O14965, O60563, P06493, P11802, P14635, P20248, P24385, P24864, P24941, P50613, P50750, P51946, P51948, Q00535, Q15078, Q96GD4, and Q9NQR1
DOI: 10.7270/q2fb567m
title: BindingDB Entry 50007059: Could Dissecting the Molecular Framework of β-Lactam Integrin Ligands Enhance Selectivity?

description: Small molecule binding data for protein Integrin alpha-4/beta-1, Integrin alpha-5/beta-1, and Integrin alpha-V/beta-3, Uniprot P05106, P05556, P06756, P08648, and P13612
DOI: 10.7270/q2fb5682
title: BindingDB Entry 50007385: Integrated Synthetic, Biophysical, and Computational Investigations of Covalent Inhibitors of Prolyl Oligopeptidase and Fibroblast Activation Protein α.

description: Small molecule binding data for protein Acyl-protein thioesterase 1, Dipeptidyl peptidase 4, and Prolyl endopeptidase, Uniprot P27487, P48147, and P70470
DOI: 10.7270/q2fb569h
title: BindingDB Entry 50007996: Bicyclic α-Iminophosphonates as High Affinity Imidazoline I

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Cholecystokinin receptor type A, Gastrin/cholecystokinin type B receptor, and Nischarin, Uniprot P08913, P32238, P32239, and Q9Y2I1
DOI: 10.7270/q2fb56bz
title: BindingDB Entry 50008615: Enhancement of the tail hydrophobic interactions within the carbonic anhydrase IX active site via structural extension: Design and synthesis of novel N-substituted isatins-SLC-0111 hybrids as carbonic anhydrase inhibitors and antitumor agents.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 9, and Vascular endothelial growth factor receptor 2, Uniprot O43570, P00915, P00918, P35968, and Q16790
DOI: 10.7270/q2fb56cd
title: BindingDB Entry 50009257: Development of covalent antagonists for β1- and β2-adrenergic receptors.

description: Small molecule binding data for protein Beta-1 adrenergic receptor and Beta-2 adrenergic receptor, Uniprot P07550, P08588, and P34971
DOI: 10.7270/q2fb56dv
title: BindingDB Entry 50009585: Crown Ethers as Transthyretin Amyloidogenesis Inhibitors.

description: Small molecule binding data for protein Transthyretin, Uniprot P02766
DOI: 10.7270/q2fb56f9
title: BindingDB Entry 50009869: Discovery of Pyridinyl Acetamide Derivatives as Potent, Selective, and Orally Bioavailable Porcupine Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Protein-serine O-palmitoleoyltransferase porcupine, Uniprot P08684, P10635, P11712, Q9H237, and Q9JJJ7
DOI: 10.7270/q2fb56gr
title: BindingDB Entry 50010187: Design, Synthesis, and Preclinical Evaluation of 4-Substituted-5-methyl-furo[2,3-d]pyrimidines as Microtubule Targeting Agents That Are Effective against Multidrug Resistant Cancer Cells.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2fb56h6
title: BindingDB Entry 50010776: Computer-Aided Fragment Growing Strategies to Design Dual Inhibitors of Soluble Epoxide Hydrolase and LTA4 Hydrolase.

description: Small molecule binding data for protein Bifunctional epoxide hydrolase 2 and Leukotriene A-4 hydrolase, Uniprot P09960 and P34913
DOI: 10.7270/q2fb56jn
title: BindingDB Entry 50011404: Rational design of cell-permeable cyclic peptides containing a d-Pro-l-Pro motif.

description: Small molecule binding data for protein Growth factor receptor-bound protein 2, Uniprot P62993
DOI: 10.7270/q2fb56k3
title: BindingDB Entry 50012045: Recent Developments in the Biology and Medicinal Chemistry of CDK9 Inhibitors: An Update.

description: Small molecule binding data for protein CDK-activating kinase assembly factor MAT1/Cyclin-H/Cyclin-dependent kinase 7, Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-C, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Cyclin-dependent kinase 3/G1/S-specific cyclin-E1, Cyclin-dependent kinase 4/G1/S-specific cyclin-D1, Cyclin-dependent kinase 5 activator 1, Cyclin-dependent kinase 6/G1/S-specific cyclin-D1, Cyclin-dependent kinase 6/G1/S-specific cyclin-D3, Cyclin-dependent kinase 7, Cyclin-dependent kinase 8, Cyclin-dependent kinase 9, Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1, Glycogen synthase kinase-3 alpha, and Glycogen synthase kinase-3 beta, Uniprot O60563, P06493, P11802, P14635, P20248, P24385, P24863, P24864, P24941, P30281, P49336, P49840, P49841, P50613, P50750, P51946, P51948, Q00526, Q00534, Q00535, and Q15078
DOI: 10.7270/q2fb56mj
title: BindingDB Entry 50012656: Discovery of Roblitinib (FGF401) as a Reversible-Covalent Inhibitor of the Kinase Activity of Fibroblast Growth Factor Receptor 4.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Aurora kinase A, Fibroblast growth factor receptor 1, Fibroblast growth factor receptor 2, Fibroblast growth factor receptor 3, Fibroblast growth factor receptor 4, and MAP kinase-activated protein kinase 2, Uniprot O14965, P11362, P21802, P22455, P22607, P40989, P49137, Q03142, and Q498D6
DOI: 10.7270/q2fb56n0
title: BindingDB Entry 50012994: The modulatory role of sulfated and non-sulfated small molecule heparan sulfate-glycomimetics in endothelial dysfunction: absolute structural clarification, molecular docking and simulated dynamics, SAR analyses and ADMET studies.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q2fb56pf
title: BindingDB Entry 50013303: Design, synthesis and biological activity of novel 2,3,4,5-tetra-substituted thiophene derivatives as PI3Kα inhibitors with potent antitumor activity.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, 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 gamma isoform, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P27986, P40989, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2fb56qw
title: BindingDB Entry 50013664: Ferulic acid amide derivatives with varying inhibition of amyloid-β oligomerization and fibrillization.

description: Small molecule binding data for protein Amyloid-beta precursor protein, Uniprot P05067
DOI: 10.7270/q2fb56rb
title: BindingDB Entry 50014285: Fragment-based drug design targeting syntenin PDZ2 domain involved in exosomal release and tumour spread.

description: Small molecule binding data for protein Syndecan-2/Syntenin-1, Uniprot O00560 and P34741
DOI: 10.7270/q2ff3wdd
title: BindingDB Entry 9236: Agent for treating synucleinopathy

description: Small molecule binding data for protein Fatty acid-binding protein, adipocyte and Fatty acid-binding protein, heart, Uniprot P05413 and P15090
DOI: 10.7270/q2ff3wfv
title: BindingDB Entry 9445: Substituted pyridine derivatives useful as C-FMS kinase inhibitors

description: Small molecule binding data for protein Macrophage colony-stimulating factor 1 receptor and Receptor protein-tyrosine kinase, Uniprot P07333, Q00495, and Q2XPT7
DOI: 10.7270/q2ff3wg9
title: BindingDB Entry 9623: KDM1A inhibitors for the treatment of disease

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2ff3whr
title: BindingDB Entry 9832: Pyridine derivative

description: Small molecule binding data for protein Leucyl-cystinyl aminopeptidase, Uniprot P97629 and Q9UIQ6
DOI: 10.7270/q2ff3wj6
title: BindingDB Entry 10219: Fused piperidinyl bicyclic and related compounds as modulators of C5A receptor

description: Small molecule binding data for protein C5a anaphylatoxin chemotactic receptor 1, Uniprot P21730
DOI: 10.7270/q2ff3wkn
title: BindingDB Entry 10606: CD73 inhibitors

description: Small molecule binding data for protein 5'-nucleotidase, Uniprot P21589
DOI: 10.7270/q2ff3wm3
title: BindingDB Entry 50006733: Design, synthesis and biological evaluation of novel serotonin and dopamine receptor ligands being 6-bromohexyl saccharine derivatives.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, and D(2) dopamine receptor, Uniprot P08908, P14416, P14842, P19327, P28223, P34969, P50406, and P61169
DOI: 10.7270/q2ff3wnj
title: BindingDB Entry 50007325: Novel human adenosine receptor antagonists based on the 7-amino-thiazolo[5,4-d]pyrimidine scaffold. Structural investigations at the 2-, 5- and 7-positions to enhance affinity and tune selectivity.

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/q2ff3wp0
title: BindingDB Entry 50007669: Optimization of Small Molecules That Sensitize HIV-1 Infected Cells to Antibody-Dependent Cellular Cytotoxicity.

description: Small molecule binding data for protein Envelope glycoprotein gp160, Uniprot Q6QLK5
DOI: 10.7270/q2ff3wqf
title: BindingDB Entry 50007945: Structure-Based Discovery of SD-36 as a Potent, Selective, and Efficacious PROTAC Degrader of STAT3 Protein.

description: Small molecule binding data for protein Signal transducer and activator of transcription 1-alpha/beta, Signal transducer and activator of transcription 3, and Signal transducer and activator of transcription 4, Uniprot P40763, P42224, and Q14765
DOI: 10.7270/q2ff3wrw
title: BindingDB Entry 50008281: Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.

description: Small molecule binding data for protein Inositol hexakisphosphate kinase 2 and Inositol polyphosphate multikinase, Uniprot Q8NFU5 and Q9UHH9
DOI: 10.7270/q2ff3wsb
title: BindingDB Entry 50008929: Design, synthesis and biological evaluation of novel antitumor spirodihydrothiopyran-oxindole derivatives.

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q2ff3wts
title: BindingDB Entry 50009544: Fragment-based drug discovery of triazole inhibitors to block PDEδ-RAS protein-protein interaction.

description: Small molecule binding data for protein Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta, Uniprot O43924
DOI: 10.7270/q2ff3wv7
title: BindingDB Entry 50010143: Discovery of piperazic acid peptide deformylase inhibitors with in vivo activity for respiratory tract and skin infections.

description: Small molecule binding data for protein Peptide deformylase, Uniprot P68825 and Q9JN24
DOI: 10.7270/q2ff3wwp
title: BindingDB Entry 50010440: Discovery of N-ethylpyridine-2-carboxamide derivatives as a novel scaffold for orally active γ-secretase modulators.

description: Small molecule binding data for protein Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2 and Presenilin-1, Uniprot P49768, P49810, Q8WW43, Q92542, Q96BI3, and Q9NZ42
DOI: 10.7270/q2ff3wx4
title: BindingDB Entry 50010725: Discovery of heterocyclic carbohydrazide derivatives as novel selective fatty acid amide hydrolase inhibitors: design, synthesis and anti-neuroinflammatory evaluation.

description: Small molecule binding data for protein Cocaine esterase and Fatty-acid amide hydrolase 1, Uniprot O00519 and O00748
DOI: 10.7270/q2ff3wzk
title: BindingDB Entry 50011071: Novel 4-Heteroarylcarbonyl-N-(phenyl or heteroaryl) Piperidine-1-carboxamides as Tankyrase Inhibitors.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase tankyrase-1 and Poly [ADP-ribose] polymerase tankyrase-2, Uniprot O95271 and Q9H2K2
DOI: 10.7270/q2ff3x0f
title: BindingDB Entry 50011690: Natural product inspired optimization of a selective TRPV6 calcium channel inhibitor.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 5 and Transient receptor potential cation channel subfamily V member 6, Uniprot Q9H1D0 and Q9NQA5
DOI: 10.7270/q2ff3x1w
title: BindingDB Entry 50012315: Induced protein degradation of histone deacetylases 3 (HDAC3) by proteolysis targeting chimera (PROTAC).

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, and Histone deacetylase 3/Nuclear receptor corepressor 2, Uniprot O15379, Q13547, Q92769, and Q9Y618
DOI: 10.7270/q2ff3x2b
title: BindingDB Entry 50012941: Modulation of Androgen Receptor for Therapeutic Application in Cancer and Viral Infection.

description: Small molecule binding data for protein Androgen receptor, Uniprot P10275
DOI: 10.7270/q2ff3x3s
title: BindingDB Entry 50013577: Discovery and Optimization of 2

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP] cytoplasmic, Uniprot O75874
DOI: 10.7270/q2ff3x47
title: BindingDB Entry 50013935: Rational modification, synthesis and biological evaluation of N-substituted phthalazinone derivatives designed to target interleukine-15 protein.

description: Small molecule binding data for protein Interleukin-15 and Interleukin-2, Uniprot P40933, P48346, and P60568
DOI: 10.7270/q2ff3x5p
title: BindingDB Entry 50014250: Design, synthesis, and pharmacological evaluation of sinomenine derivatives on rings A and C: Novel compounds screening for aplastic anemia targeting on cytotoxic T lymphocyte.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q2ff3x64
title: BindingDB Entry 50014602: Discovery of memantyl urea derivatives as potent soluble epoxide hydrolase inhibitors against lipopolysaccharide-induced sepsis.

description: Small molecule binding data for protein Bifunctional epoxide hydrolase 2, Uniprot P34913 and P34914
DOI: 10.7270/q2fj2ktq
title: BindingDB Entry 9027: Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer

description: Small molecule binding data for protein Epidermal growth factor receptor, Tyrosine-protein kinase BTK, and Tyrosine-protein kinase BTK [C481S], Uniprot P00533 and Q06187
DOI: 10.7270/q2fj2kv5
title: BindingDB Entry 9414: Heterocyclic glutaminase inhibitors

description: Small molecule binding data for protein Glutamate dehydrogenase 2, mitochondrial, Uniprot P49448
DOI: 10.7270/q2fj2kwm
title: BindingDB Entry 9801: Grp94 selective inhibitors and uses thereof

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha, Uniprot P07900
DOI: 10.7270/q2fj2kzh
title: BindingDB Entry 10188: Pyrrolo-pyridine derivative compound, method for preparing same, and pharmaceutical composition containing same as active ingredient for prevention or treatment of protein kinase-related diseases

description: Small molecule binding data for protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Uniprot Q13627
DOI: 10.7270/q2fj2m0c
title: BindingDB Entry 10397: Selective inhibitors of protein arginine methyltransferase 5 (PRMT5)

description: Small molecule binding data for protein Methylosome protein 50/Protein arginine N-methyltransferase 5, Uniprot O14744 and Q9BQA1
DOI: 10.7270/q2fj2m1t
title: BindingDB Entry 10784: Prolyl hydroxylase inhibitors and methods of use

description: Small molecule binding data for protein Egl nine homolog 1 [179-426], Prolyl hydroxylase EGLN3, and Vascular endothelial growth factor receptor 1, Uniprot P17948, Q9GZT9, and Q9H6Z9
DOI: 10.7270/q2fj2m28
title: BindingDB Entry 50007009: Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Poly [ADP-ribose] polymerase 1, Poly [ADP-ribose] polymerase 2, Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2, Poly [ADP-ribose] polymerase tankyrase-2, Protein mono-ADP-ribosyltransferase PARP10, Protein mono-ADP-ribosyltransferase PARP11, Protein mono-ADP-ribosyltransferase PARP12, Protein mono-ADP-ribosyltransferase PARP15, Protein mono-ADP-ribosyltransferase PARP3, Protein mono-ADP-ribosyltransferase PARP6, Protein mono-ADP-ribosyltransferase PARP8, and Protein mono-ADP-ribosyltransferase TIPARP, Uniprot O95271, P09874, P40989, Q2NL67, Q460N3, Q53GL7, Q7Z3E1, Q8N3A8, Q9H0J9, Q9H2K2, Q9NR21, Q9UGN5, and Q9Y6F1
DOI: 10.7270/q2fj2m3q
title: BindingDB Entry 50007625: An Agonist Radioligand for the Proinflammatory Lipid-Activated G Protein-Coupled Receptor GPR84 Providing Structural Insights.

description: Small molecule binding data for protein G-protein coupled receptor 84, Uniprot Q9NQS5
DOI: 10.7270/q2fj2m45
title: BindingDB Entry 50008232: Expedient assembly of Oligo-LacNAcs by a sugar nucleotide regeneration system: Finding the role of tandem LacNAc and sialic acid position towards siglec binding.

description: Small molecule binding data for protein Sialic acid-binding Ig-like lectin 7, Uniprot Q9Y286
DOI: 10.7270/q2fj2m5m
title: BindingDB Entry 50008555: Discovery of Potent, Selective, and Direct Acid Sphingomyelinase Inhibitors with Antidepressant Activity.

description: Small molecule binding data for protein Sphingomyelin phosphodiesterase, Uniprot P17405
DOI: 10.7270/q2fj2m62
title: BindingDB Entry 50008877: SYA 013 analogs as moderately selective sigma-2 (σ

description: Small molecule binding data for protein Sigma intracellular receptor 2 and Sigma non-opioid intracellular receptor 1, Uniprot Q5BJF2 and Q99720
DOI: 10.7270/q2fj2m7h
title: BindingDB Entry 50009211: Pharmacophore-based design of novel 3-hydroxypyrimidine-2,4-dione subtypes as inhibitors of HIV reverse transcriptase-associated RNase H: Tolerance of a nonflexible linker.

description: Small molecule binding data for protein Integrase, Reverse transcriptase, and Reverse transcriptase/RNaseH, Uniprot Q72547, Q76353, and Q9WKE8
DOI: 10.7270/q2fj2m8z
title: BindingDB Entry 50009829: Discovery and Structure-Activity Relationship (SAR) of a Series of Ethanolamine-Based Direct-Acting Agonists of Sphingosine-1-phosphate (S1P1).

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Sphingosine 1-phosphate receptor 1, Sphingosine 1-phosphate receptor 3, Sphingosine 1-phosphate receptor 4, and Sphingosine 1-phosphate receptor 5, Uniprot O95977, P05177, P08684, P10632, P10635, P11712, P20813, P21453, P33261, P40989, Q99500, and Q9H228
DOI: 10.7270/q2fj2m9d
title: BindingDB Entry 50010402: Strategic Incorporation of Polarity in Heme-Displacing Inhibitors of Indoleamine-2,3-dioxygenase-1 (IDO1).

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902