cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2k077xj
title: BindingDB Entry 50012362: Discovery of a Potent Dual Inhibitor of Acetylcholinesterase and Butyrylcholinesterase with Antioxidant Activity that Alleviates Alzheimer-like Pathology in Old APP/PS1 Mice.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot O42275, P06276, and P22303
DOI: 10.7270/q2k077z0
title: BindingDB Entry 50012701: Synthesis and biological evaluation of a ring analogs of the selective CB2 inverse agonist SMM-189.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2k0780v
title: BindingDB Entry 50012993: TBA

description: Small molecule binding data for protein Tyrosinase, Uniprot P14679
DOI: 10.7270/q2k07819
title: BindingDB Entry 50013363: Rational modification, synthesis and biological evaluation of 3,4-dihydroquinoxalin-2(1H)-one derivatives as potent and selective c-Jun N-terminal kinase 3 (JNK3) inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Epithelial discoidin domain-containing receptor 1, Mitogen-activated protein kinase 10, Mitogen-activated protein kinase 8, and Mitogen-activated protein kinase 9, Uniprot P00533, P45983, P45984, P53779, and Q08345
DOI: 10.7270/q2k0782r
title: BindingDB Entry 50013984: Discovery of thalidomide-based PROTAC small molecules as the highly efficient SHP2 degraders.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 11, Uniprot Q06124
DOI: 10.7270/q2k07836
title: BindingDB Entry 50014647: Adenosine Receptor Antagonists as Potential Cancer Therapy.

description: Small molecule binding data for protein Adenosine receptor A2a and Adenosine receptor A2b, Uniprot P29274 and P29275
DOI: 10.7270/q2k35xnh
title: BindingDB Entry 9057: Compounds as neuronal histamine receptor-3 antagonists and uses thereof

description: Small molecule binding data for protein Histamine H3 receptor, Uniprot Q9Y5N1
DOI: 10.7270/q2k35xpz
title: BindingDB Entry 9266: Inhibitors of peptidyl arginine deiminase (PAD) enzymes and uses thereof

description: Small molecule binding data for protein Protein-arginine deiminase type-1, Protein-arginine deiminase type-2, and Protein-arginine deiminase type-4, Uniprot Q08642, Q9ULC6, and Q9UM07
DOI: 10.7270/q2k35xqd
title: BindingDB Entry 9444: Carboxamide compounds and uses thereof

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 1, Uniprot Q92918
DOI: 10.7270/q2k35xrv
title: BindingDB Entry 9653: Substituted pyrazole derivatives as selective CDK12/13 inhibitors

description: Small molecule binding data for protein Cyclin-dependent kinase 12, Cyclin-dependent kinase 13, and Cyclin-dependent kinase 7, Uniprot P50613, Q14004, and Q9NYV4
DOI: 10.7270/q2k35xs9
title: BindingDB Entry 10040: Use of fused heteroaromatic pyrrolidones for treatment and prevention of diseases in animals

description: Small molecule binding data for protein Interleukin 1 receptor associated kinase 4 and Tyrosine-protein kinase, Uniprot A0A3Q7SEB1, A0A8C0MB55, A0A8C0RXK6, and A0A8I3Q059
DOI: 10.7270/q2k35xtr
title: BindingDB Entry 10427: Purine inhibitors of human phosphatidylinositol 3-kinase delta

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Uniprot O00329
DOI: 10.7270/q2k35xv6
title: BindingDB Entry 10814: Pyrimidine TBK/IKKe inhibitor compounds and uses thereof

description: Small molecule binding data for protein Inhibitor of nuclear factor kappa-B kinase subunit epsilon and Serine/threonine-protein kinase TBK1, Uniprot Q14164 and Q9UHD2
DOI: 10.7270/q2k35xwn
title: BindingDB Entry 50006786: Allosteric Activation of Striatal-Enriched Protein Tyrosine Phosphatase (STEP, PTPN5) by a Fragment-like Molecule.

description: Small molecule binding data for protein Tyrosine-protein phosphatase non-receptor type 5, Uniprot P54829
DOI: 10.7270/q2k35xx3
title: BindingDB Entry 50007058: Glechomanamides A-C, Germacrane Sesquiterpenoids with an Unusual Δ

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2k35xzj
title: BindingDB Entry 50007384: Synthesis and SAR Study of Carbamoyl Pyridone Bicycle Derivatives as Potent Inhibitors of Influenza Cap-dependent Endonuclease.

description: Small molecule binding data for protein Polymerase acidic protein, Uniprot P03433
DOI: 10.7270/q2k35z0d
title: BindingDB Entry 50007668: Development of a Versatile and Sensitive Direct Ligand Binding Assay for Human NR5A Nuclear Receptors.

description: Small molecule binding data for protein Nuclear receptor subfamily 5 group A member 2 and Steroidogenic factor 1, Uniprot O00482 and Q13285
DOI: 10.7270/q2k35z1v
title: BindingDB Entry 50007994: Discovery of Novel Allosteric Inhibitors of Deoxyhypusine Synthase.

description: Small molecule binding data for protein Deoxyhypusine synthase, Uniprot P49366
DOI: 10.7270/q2k35z29
title: BindingDB Entry 50008612: Design, synthesis and evaluation of the osimertinib analogue (C-005) as potent EGFR inhibitor against NSCLC.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2k35z3r
title: BindingDB Entry 50009256: Caprazamycins: Promising lead structures acting on a novel antibacterial target MraY.

description: Small molecule binding data for protein Phospho-N-acetylmuramoyl-pentapeptide-transferase, Uniprot O66465, P0A6W3, P0C1R8, and Q03521
DOI: 10.7270/q2k35z46
title: BindingDB Entry 50009867: Discovery of Pyrazolo[1,5-a]pyrimidine TTK Inhibitors: CFI-402257 is a Potent, Selective, Bioavailable Anticancer Agent.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 3A4, and Dual specificity protein kinase TTK, Uniprot P08684, P11712, P33261, and P33981
DOI: 10.7270/q2k35z5n
title: BindingDB Entry 50010186: Design and synthesis of novel bicalutamide and enzalutamide derivatives as antiproliferative agents for the treatment of prostate cancer.

description: Small molecule binding data for protein Androgen receptor, Uniprot P15207
DOI: 10.7270/q2k35z63
title: BindingDB Entry 50010439: Design and synthesis of cyanamides as potent and selective N-acylethanolamine acid amidase inhibitors.

description: Small molecule binding data for protein Cathepsin K, Fatty-acid amide hydrolase 1, Monoglyceride lipase, and N-acylethanolamine-hydrolyzing acid amidase, Uniprot O00519, P43235, Q02083, Q5KTC7, and Q99685
DOI: 10.7270/q2k35z7j
title: BindingDB Entry 50010775: Discovery of an Atropisomeric PI3Kβ Selective Inhibitor through Optimization of the Hinge Binding Motif.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 3A4, Cytochrome P450 4B1, 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 delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P08684, P13584, P27986, P40989, P42336, P42338, and P48736
DOI: 10.7270/q2k35z80
title: BindingDB Entry 50011403: TBA

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, 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, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, P05177, P08684, P10635, P11712, P27986, P33261, P42336, P42338, and P48736
DOI: 10.7270/q2k35z9f
title: BindingDB Entry 50012043: Isolation, reactivity, pharmacological activities and total synthesis of hispanolone and structurally related diterpenes from Labiatae plants.

description: Small molecule binding data for protein Acetylcholinesterase and Sulfotransferase 1E1, Uniprot P37136 and P49888
DOI: 10.7270/q2k35zbw
title: BindingDB Entry 50012655: Chinese Therapeutic Strategy for Fighting COVID-19 and Potential Small-Molecule Inhibitors against Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2).

description: Small molecule binding data for protein Transmembrane protease serine 2, Uniprot O15393
DOI: 10.7270/q2k35zcb
title: BindingDB Entry 50013302: Design, synthesis and biological evaluation of novel naturally-inspired multifunctional molecules for the management of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P22303 and P81908
DOI: 10.7270/q2k35zds
title: BindingDB Entry 50013663: Design, synthesis and biological evaluation of dual Bcl-2/Mcl-1 inhibitors bearing 2-(1H-indol-4-yl)benzoic acid scaffold.

description: Small molecule binding data for protein Bcl-2-like protein 1, Bcl2-associated agonist of cell death, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07817, Q07820, and Q92934
DOI: 10.7270/q2k35zf7
title: BindingDB Entry 50013934: Discovery of potent and selective reversible Bruton's tyrosine kinase inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Aurora kinase A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytoplasmic tyrosine-protein kinase BMX, Misshapen-like kinase 1, Proto-oncogene tyrosine-protein kinase Src, Tyrosine-protein kinase, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Fgr, Tyrosine-protein kinase Tec, and Tyrosine-protein kinase Yes, Uniprot O14965, P07947, P09769, P11712, P12931, P33261, P40989, P42680, P51813, Q06187, Q5S255, and Q8N4C8
DOI: 10.7270/q2k35zgp
title: BindingDB Entry 50014283: Design, synthesis and biological evaluation of exiguamine A analogues as IDO1 inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2k64n44
title: BindingDB Entry 9235: 3′ end caps, 5′ end caps and combinations thereof for therapeutic RNA

description: Small molecule binding data for protein Eukaryotic translation initiation factor 4E, Uniprot P06730
DOI: 10.7270/q2k64n5k
title: BindingDB Entry 9622: Phenylate derivative, preparation method therefor, and pharmaceutical composition and uses thereof

description: Small molecule binding data for protein Programmed cell death 1 ligand/protein 1, Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q2k64n61
title: BindingDB Entry 9831: KDM5 inhibitors

description: Small molecule binding data for protein Lysine-specific demethylase 5B, Uniprot Q9UGL1
DOI: 10.7270/q2k64n7g
title: BindingDB Entry 10009: Thiadiazole IRAK4 compounds

description: Small molecule binding data for protein Interleukin-1 receptor-associated kinase 4, Uniprot Q9NWZ3
DOI: 10.7270/q2k64n8x
title: BindingDB Entry 10218: Compounds as neurokinin-1 receptor antagonists and uses thereof

description: Small molecule binding data for protein Neuromedin-K receptor, Substance-K receptor, and Substance-P receptor, Uniprot P21452, P25103, and P29371
DOI: 10.7270/q2k64n9c
title: BindingDB Entry 10605: Optically active crosslinked cyclic secondary amine derivative

description: Small molecule binding data for protein Histone-lysine N-methyltransferase 2A/Menin, Uniprot O00255 and Q03164
DOI: 10.7270/q2k64nbt
title: BindingDB Entry 50006732: 1,3,4-Oxadiazol-2-ylbenzenesulfonamides as privileged structures for the inhibition of monoamine oxidase B.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397, P27338, and Q8BW75
DOI: 10.7270/q2k64nc8
title: BindingDB Entry 50007324: Discovery of new indole-based acylsulfonamide Na

description: Small molecule binding data for protein Cytochrome P450, Cytochrome P450 4B1, Sodium channel protein type 5 subunit alpha, and Sodium channel protein type 9 subunit alpha, Uniprot P04798, P05177, P05181, P08684, P10632, P10635, P11509, P11712, P13584, P20813, P20815, P20853, P24462, P24903, P33260, P33261, P51589, P78329, P98187, Q02928, Q08477, Q14524, Q15858, Q16678, Q16696, Q5TCH4, Q6VVX0, Q7Z449, Q8TAV3, Q96SQ9, and Q9HB55
DOI: 10.7270/q2k64ndq
title: BindingDB Entry 50007944: Design and Synthesis of Basic Selective Estrogen Receptor Degraders for Endocrine Therapy Resistant Breast Cancer.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372
DOI: 10.7270/q2k64nf5
title: BindingDB Entry 50008278: Structure-Activity Relationships and Characterization of Highly Selective, Long-Acting, Peptide-Based Cholecystokinin 1 Receptor Agonists.

description: Small molecule binding data for protein Cholecystokinin receptor type A and Gastrin/cholecystokinin type B receptor, Uniprot P32238 and P32239
DOI: 10.7270/q2k64ngm
title: BindingDB Entry 50008553: Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.

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, Cytochrome P450 3A4, and Reverse transcriptase, Uniprot P05177, P08684, P10635, P11712, P33261, P40989, and Q9WKE8
DOI: 10.7270/q2k64nh2
title: BindingDB Entry 50008928: Veratric acid derivatives containing benzylidene-hydrazine moieties as promising tyrosinase inhibitors and free radical scavengers.

description: Small molecule binding data for protein Polyphenol oxidase 2, Uniprot O42713
DOI: 10.7270/q2k64njh
title: BindingDB Entry 50009543: Unravel a neuroactive sHA sulfation pattern with neurogenesis activity by a library of defined oligosaccharides.

description: Small molecule binding data for protein Brain-derived neurotrophic factor, Midkine, and Pleiotrophin, Uniprot P21246, P21741, and P23560
DOI: 10.7270/q2k64nkz
title: BindingDB Entry 50010142: 3H-Imidazo[4,5-b]pyridine-6-carboxylic acid derivatives as rexinoids with reduced teratogenicity.

description: Small molecule binding data for protein Retinoic acid receptor RXR-alpha, Uniprot P19793
DOI: 10.7270/q2k64nmd
title: BindingDB Entry 50010724: 4-Hydroxy-3-methylbenzofuran-2-carbohydrazones as novel LSD1 inhibitors.

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2k64nnv
title: BindingDB Entry 50011070: From Bacteria to Cancer: A Benzothiazole-Based DNA Gyrase B Inhibitor Redesigned for Hsp90 C-Terminal Inhibition.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha/90-beta, Uniprot P07900 and P08238
DOI: 10.7270/q2k64np9
title: BindingDB Entry 50011353: Ultrapotent Inhibitor of

description: Small molecule binding data for protein Cyclin-dependent kinase 2, Uniprot P24941
DOI: 10.7270/q2k64nqr
title: BindingDB Entry 50011689: G-Protein biased opioid agonists: 3-hydroxy-

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q2k64nr6
title: BindingDB Entry 50012311: Discovery of novel VX-809 hybrid derivatives as F508del-CFTR correctors by molecular modeling, chemical synthesis and biological assays.

description: Small molecule binding data for protein Cystic fibrosis transmembrane conductance regulator, Uniprot P13569
DOI: 10.7270/q2k64nsn
title: BindingDB Entry 50012939: Targeted Covalent Inhibition of

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase FKBP1A, Uniprot P62942
DOI: 10.7270/q2k64nt3
title: BindingDB Entry 50013574: Discovery of imidazopyrrolopyridines derivatives as novel and selective inhibitors of JAK2.

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1/JAK3, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q2k64nvj
title: BindingDB Entry 50014248: Design, synthesis and evaluation of heteroaryldihydropyrimidine analogues bearing spiro ring as hepatitis B virus capsid protein inhibitors.

description: Small molecule binding data for protein Capsid protein, Uniprot Q03732
DOI: 10.7270/q2k64nw0
title: BindingDB Entry 50014601: Discovery of novel 2,3,5-trisubstituted pyridine analogs as potent inhibitors of IL-1β via modulation of the p38 MAPK signaling pathway.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2k93bmb
title: BindingDB Entry 9413: Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators

description: Small molecule binding data for protein Prostacyclin receptor, Uniprot P43119
DOI: 10.7270/q2k93bns
title: BindingDB Entry 9800: Pharmaceutical compounds

description: Small molecule binding data for protein Serine/threonine-protein kinase Chk1, Uniprot O14757
DOI: 10.7270/q2k93bp7
title: BindingDB Entry 10187: Isoquinolin and naphthydrin compounds

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 5, Uniprot Q99683
DOI: 10.7270/q2k93bqp
title: BindingDB Entry 10396: Azetidinyl phenyl, pyridyl or pyrazinyl carboxamide derivatives as JAK inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase JAK1 [837-1142] and Tyrosine-protein kinase JAK2 [828-1132], Uniprot O60674 and P23458
DOI: 10.7270/q2k93br4
title: BindingDB Entry 10574: Azabenzimidazoles and their use as AMPA receptor modulators

description: Small molecule binding data for protein Voltage-dependent calcium channel gamma-8 subunit, Uniprot Q8WXS5
DOI: 10.7270/q2k93bsk
title: BindingDB Entry 10783: Immunomodulator compounds

description: Small molecule binding data for protein Programmed cell death 1 ligand 1, Uniprot Q9NZQ7
DOI: 10.7270/q2k93bt1
title: BindingDB Entry 50007008: Can Cysteine Protease Cross-Class Inhibitors Achieve Selectivity?

description: Small molecule binding data for protein Cathepsin B, Cruzipain, Cysteine protease, and Procathepsin L, Uniprot P07711, P07858, P25779, and Q95PM0
DOI: 10.7270/q2k93bvg
title: BindingDB Entry 50007624: A new chemotype with promise against Trypanosoma cruzi.

description: Small molecule binding data for protein Sterol 14-alpha demethylase, Uniprot Q7Z1V1
DOI: 10.7270/q2k93bwx
title: BindingDB Entry 50008230: An insight into the medicinal perspective of synthetic analogs of indole: A review.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dihydrofolate reductase, Prostaglandin G/H synthase 2, Reverse transcriptase, and Sodium-dependent serotonin transporter, Uniprot P00374, P08908, P31645, P35354, P9WNX1, and Q9WKE8
DOI: 10.7270/q2k93bxc
title: BindingDB Entry 50008876: Synthesis, spectroscopic characterization, molecular docking and theoretical studies (DFT) of N-(4-aminophenylsulfonyl)-2-(4-isobutylphenyl) propanamide having potential enzyme inhibition applications.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2k93bzt
title: BindingDB Entry 50009209: Histone deacetylase 3 inhibitors in learning and memory processes with special emphasis on benzamides.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Nuclear receptor corepressor 1, and Polyamine deacetylase HDAC10, Uniprot O15379, O75376, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q9BY41, and Q9UBN7
DOI: 10.7270/q2k93c0p
title: BindingDB Entry 50009501: Discovery of potent and selective butyrylcholinesterase inhibitors through the use of pharmacophore-based screening.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2k93c14
title: BindingDB Entry 50009827: Development of Novel Alkoxyisoxazoles as Sigma-1 Receptor Antagonists with Antinociceptive Efficacy.

description: Small molecule binding data for protein Sigma intracellular receptor 2, Sigma non-opioid intracellular receptor 1, Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P23975, P31645, Q01959, Q5BJF2, Q5U3Y7, Q99720, and Q9R0C9
DOI: 10.7270/q2k93c2k
title: BindingDB Entry 50010401: TBA

description: Small molecule binding data for protein Epithelial discoidin domain-containing receptor 1, Uniprot Q08345
DOI: 10.7270/q2k93c31
title: BindingDB Entry 50011019: Design, synthesis and biological activity evaluation of novel 4-((1-cyclopropyl-3-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl) oxy) pyridine-2-yl) amino derivatives as potent transforming growth factor-β (TGF-β) type I receptor inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and TGF-beta receptor type-1, Uniprot P36897 and P40989
DOI: 10.7270/q2k93c4g
title: BindingDB Entry 50011638: Modifications at C(5) of 2-(2-Pyrrolidinyl)-Substituted 1,4-Benzodioxane Elicit Potent α4β2 Nicotinic Acetylcholine Receptor Partial Agonism with High Selectivity over the α3β4 Subtype.

description: Small molecule binding data for protein Neuronal acetylcholine receptor subunit alpha-3/beta-4, Neuronal acetylcholine receptor subunit alpha-4/beta-2, and Neuronal acetylcholine receptor subunit alpha-7, Uniprot P09483, P12390, P17787, P30926, P32297, P43681, and Q05941
DOI: 10.7270/q2k93c5x
title: BindingDB Entry 50011996: Arylsulfonyl histamine derivatives as powerful and selective α-glucosidase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Xanthine dehydrogenase/oxidase, Uniprot O42275 and P80457
DOI: 10.7270/q2k93c6c
title: BindingDB Entry 50012262: Discovery of the first potent and selective α

description: Small molecule binding data for protein Integrin alpha-V/beta-1, Integrin alpha-V/beta-3, Integrin alpha-V/beta-5, Integrin alpha-V/beta-6, and Integrin alpha-V/beta-8, Uniprot P05106, P05556, P06756, P18084, P18564, and P26012
DOI: 10.7270/q2k93c7t
title: BindingDB Entry 50012609: Novel Irreversible Agonists Acting at the A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2k93c88
title: BindingDB Entry 50012891: Novel Heteroaromatic Compounds as Vanin Inhibitors.

description: Small molecule binding data for protein Pantetheinase, Uniprot O95497
DOI: 10.7270/q2k93c9q
title: BindingDB Entry 50013243: Synthesis, bioconversion, pharmacokinetic and pharmacodynamic evaluation of N-isopropyl-oxy-carbonyloxymethyl prodrugs of CZh-226, a potent and selective PAK4 inhibitor.

description: Small molecule binding data for protein Serine/threonine-protein kinase PAK 1 and Serine/threonine-protein kinase PAK 4, Uniprot O96013 and Q13153
DOI: 10.7270/q2k93cb5
title: BindingDB Entry 50013889: Discovery of novel pyrimidine molecules containing boronic acid as VCP/p97 Inhibitors.

description: Small molecule binding data for protein Transitional endoplasmic reticulum ATPase, Uniprot P55072
DOI: 10.7270/q2k93ccm
title: BindingDB Entry 50014538: Identification of Betulinic Acid Derivatives as Potent TGR5 Agonists with Antidiabetic Effects via Humanized TGR5

description: Small molecule binding data for protein G-protein coupled bile acid receptor 1, Uniprot Q80SS6 and Q8TDU6
DOI: 10.7270/q2kd21x9
title: BindingDB Entry 9204: CDK inhibitors

description: Small molecule binding data for protein Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Uniprot P24864 and P24941