cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q29s1tq2
title: BindingDB Entry 50003042: Discovery of potent calpain inhibitors based on the azolo-imidazolidenone scaffold.

description: Small molecule binding data for protein Calpain1/2, Uniprot P07384
DOI: 10.7270/q2fj2kfs
title: BindingDB Entry 50003041: Natural products as inhibitors of Leishmania major dihydroorotate dehydrogenase.

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (fumarate), Uniprot Q4QEW7
DOI: 10.7270/q261130f
title: BindingDB Entry 50003043: Novel selective thiadiazine DYRK1A inhibitor lead scaffold with human pancreatic β-cell proliferation activity.

description: Small molecule binding data for protein Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Uniprot Q13627
DOI: 10.7270/q2280b8q
title: BindingDB Entry 50003044: Development of novel 2,4-bispyridyl thiophene-based compounds as highly potent and selective Dyrk1A inhibitors. Part I: Benzamide and benzylamide derivatives.

description: Small molecule binding data for protein Dual specificity tyrosine-phosphorylation-regulated kinase 1B, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, and Serine/threonine-protein kinase haspin, Uniprot A0A024R0I0, Q13627, Q8TF76, and Q9Y463
DOI: 10.7270/q2xg9tsg
title: BindingDB Entry 50003046: Structure-based design of allosteric calpain-1 inhibitors populating a novel bioactivity space.

description: Small molecule binding data for protein Calpain 1, Uniprot P35750
DOI: 10.7270/q2nz8bbt
title: BindingDB Entry 50003048: Discovery of 3-(4-sulfamoylnaphthyl)pyrazolo[1,5-a]pyrimidines as potent and selective ALK2 inhibitors.

description: Small molecule binding data for protein ALK2, Activin receptor type-1, Activin receptor type-1B, Activin receptor type-2A, Activin receptor type-2B, Activin receptor-like kinase 3 (ALK-3), Bone morphogenetic protein receptor type-1B (BMPR1B), Bone morphogenetic protein receptor type-2, Serine/threonine-protein kinase receptor R3, TGF-beta receptor type II, and TGF-beta receptor type-1, Uniprot A0A0S2Z310, A3QNQ0, D3DPA4, O00238, P27037, P36894, P36896, P36897, P37023, P37172, P37173, Q04771, Q13705, Q13873, and Q5T7S2
DOI: 10.7270/q2sq932j
title: BindingDB Entry 50003047: Unexpected AChE inhibitory activity of (2E)α,β-unsaturated fatty acids.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2j96914
title: BindingDB Entry 50003050: Optimization of the efflux ratio and permeability of covalent irreversible BTK inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Tyrosine-protein kinase BTK, Uniprot P40989 and Q06187
DOI: 10.7270/q2dj5j9d
title: BindingDB Entry 50003051: Discovery of 4-(((4-(5-chloro-2-(((1s,4s)-4-((2-methoxyethyl)amino)cyclohexyl)amino)pyridin-4-yl)thiazol-2-yl)amino)methyl)tetrahydro-2H-pyran-4-carbonitrile (JSH-150) as a novel highly selective and potent CDK9 kinase inhibitor.

description: Small molecule binding data for protein CDK-activating kinase assembly factor MAT1/Cyclin H/Cyclin-dependent kinase 7, CDK3/E, Cyclin-C, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-Dependent Kinase 5 (CDK5), Cyclin-Dependent Kinase 9 (CDK9), Cyclin-K, Cyclin-Y/Cyclin-dependent kinase 16, Cyclin-dependent kinase 11B, Cyclin-dependent kinase 14/Cyclin-Y, and Cyclin-dependent kinase 9, Uniprot A0A024R688, A0A024R6K1, A0A024R880, A0A024RB77, A0A090N7W4, A0A0S2Z3F9, A0A140VK97, O60563, O75909, O94921, P06493, P14635, P20248, P21127, P24863, P24864, P24941, P50613, P50750, P51946, P51948, Q00526, Q00535, Q00536, Q15078, Q7Z4L3, and Q8ND76
DOI: 10.7270/q28s4skp
title: BindingDB Entry 50003052: Discovery and lead identification of quinazoline-based BRD4 inhibitors.

description: Small molecule binding data for protein Bromodomain testis-specific protein, Bromodomain-containing protein 2, Bromodomain-containing protein 3, and Bromodomain-containing protein 4, Uniprot A0A024R8H6, A0A024RCR5, O60885, P25440, Q15059, and Q58F21
DOI: 10.7270/q25141w3
title: BindingDB Entry 50003053: Development of high potent and selective Bcl-2 inhibitors bearing the structural elements of natural product artemisinin.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Apoptosis regulator Bcl-2, and Bcl-2-like protein 1, Uniprot A0A024R2B3, A0A0S2Z3C5, P10415, P40989, and Q07817
DOI: 10.7270/q218395s
title: BindingDB Entry 50003054: Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2wh2sp3
title: BindingDB Entry 50003055: Synthesis and structure-activity relationship study of arylsulfonamides as novel potent H5N1 inhibitors.

description: Small molecule binding data for protein Matrix protein 2, Uniprot P0DOF5
DOI: 10.7270/q2rv0rc3
title: BindingDB Entry 50003056: Chemistry-driven glycoscience.

description: Small molecule binding data for protein CD209 antigen, Uniprot Q9NNX6
DOI: 10.7270/q2h997xs
title: BindingDB Entry 50003058: Discovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (RORγt) inhibitor, S18-000003.

description: Small molecule binding data for protein Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, Nuclear receptor ROR-gamma, Nuclear receptor ROR-gamma (RORC), Oxysterols receptor LXR-alpha, and Oxysterols receptor LXR-beta, Uniprot A0A1L4FMK7, F1D8N1, P35398, P51449, P51450, P55055, Q13133, Q6I9R9, and Q92753
DOI: 10.7270/q2cj8h6g
title: BindingDB Entry 50003059: Discovery of traditional Chinese medicine monomers and their synthetic intermediates, analogs or derivatives for battling P-gp-mediated multi-drug resistance.

description: Small molecule binding data for protein Multidrug resistance protein 1/Multidrug resistance associated protein 1, Uniprot A4D1D2 and P08183
DOI: 10.7270/q2n300n2
title: BindingDB Entry 50003057: Identification of steroidal derivatives inhibiting the transformations of allopregnanolone and estradiol by 17β-hydroxysteroid dehydrogenase type 10.

description: Small molecule binding data for protein 3-hydroxyacyl-CoA dehydrogenase type-2, Uniprot O08756
DOI: 10.7270/q27s7rgr
title: BindingDB Entry 50003060: Design, synthesis, biological evaluation and cellular imaging of imidazo[4,5-b]pyridine derivatives as potent and selective TAM inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase Mer, Tyrosine-protein kinase receptor TYRO3, and Tyrosine-protein kinase receptor UFO, Uniprot P30530, Q06418, and Q12866
DOI: 10.7270/q208681d
title: BindingDB Entry 50003063: Monosaccharide inhibitors targeting carbohydrate esterase family 4 de-N-acetylases.

description: Small molecule binding data for protein PNAG de-N-acetylase (PgaB) and Peptidoglycan de-N-acetylase (PgdA), Uniprot P75906 and Q8DP63
DOI: 10.7270/q24170rq
title: BindingDB Entry 50003062: Design and synthesis of a novel series of non-nucleoside HIV-1 inhibitors bearing pyrimidine and N-substituted aromatic piperazine.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2vm4fxk
title: BindingDB Entry 50003064: Resveratrol-maltol hybrids as multi-target-directed agents for Alzheimer's disease.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2gb26rh
title: BindingDB Entry 50003067: Design, synthesis, and biological evaluation of histone deacetylase inhibitors possessing glutathione peroxidase-like and antioxidant activities against Alzheimer's disease.

description: Small molecule binding data for protein Histone deacetylase 3 and Histone deacetylase 6, Uniprot A0A024QZ26, O15379, and Q9UBN7
DOI: 10.7270/q2m32zgv
title: BindingDB Entry 50003066: 1H-pyrrolo[2,3-b]pyridine: A new scaffold for human neutrophil elastase (HNE) inhibitors.

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q2qv3q68
title: BindingDB Entry 50003065: Design, synthesis, and effects of novel phenylpyrimidines as glucagon receptor antagonists.

description: Small molecule binding data for protein Glucagon receptor, Uniprot P47871
DOI: 10.7270/q2bk1g2n
title: BindingDB Entry 50003068: Triazole-linked transition state analogs as selective inhibitors against V. cholerae sialidase.

description: Small molecule binding data for protein Neuraminidase B (NanB), Sialidase, Sialidase 2, Sialidase A, and Sialidase B, Uniprot A0A0B7LH44, A0A4K0TX48, B8XTT3, P0C6E9, P10481, P62575, and Q9Y3R4
DOI: 10.7270/q2319zkh
title: BindingDB Entry 50003071: Design and optimization of 2,3-dihydrobenzo[b][1,4]dioxine propanoic acids as novel GPR40 agonists with improved pharmacokinetic and safety profiles.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Canalicular multispecific organic anion transporter 1, Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Free fatty acid receptor 1, Glucose-dependent insulinotropic receptor, Solute carrier organic anion transporter family member 1B1 (OATP1B1), and Solute carrier organic anion transporter family member 1B3 (OATP1B3), Uniprot A0A024RAU7, C1ID52, O14842, P05177, P08684, P10635, P11712, P20813, P33261, P40989, Q6GRK0, Q8TDV5, Q92887, Q9NPD5, Q9Y6L6, and S5RV20
DOI: 10.7270/q26t0qbx
title: BindingDB Entry 50003069: Synthetic thiosemicarbazones as a new class of Mycobacterium tuberculosis protein tyrosine phosphatase A inhibitors.

description: Small molecule binding data for protein Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP, Phosphotyrosine protein phosphatase, Probable low molecular weight protein-tyrosine-phosphatase, Protein-tyrosine phosphatase 1B, Tyrosine-protein phosphatase non-receptor type 12 (PTP-PEST), and Tyrosine-protein phosphatase yopH, Uniprot A8K3M3, P15273, P18031, P96830, P9WIA1, Q05209, Q7BRY8, and Q9Y2R2
DOI: 10.7270/q2zc85jc
title: BindingDB Entry 50003072: Design of Y

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Neuropeptide Y receptor type 4, Neuropeptide Y receptor type 5, and Neuropeptide Y receptor type 5 (NPY Y5), Uniprot O70342, P0DQD5,P50391, P25929, P49146, Q15761, Q543U8, and Q61041
DOI: 10.7270/q2pv6p2w
title: BindingDB Entry 50003074: Potent Antiglioblastoma Agents by Hybridizing the Onium-Alkyloxy-Stilbene Based Structures of an α7-nAChR, α9-nAChR Antagonist and of a Pro-Oxidant Mitocan.

description: Small molecule binding data for protein Neuronal acetylcholine receptor Alpha-4/Beta-2, Neuronal acetylcholine receptor protein alpha-10/alpha-9 subunit, and Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P17787, P36544, P43681, Q5SXY3, Q9GZZ6, and Q9UGM1
DOI: 10.7270/q2tm7dtn
title: BindingDB Entry 50003073: Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.

description: Small molecule binding data for protein ADP-ribose glycohydrolase ARH3, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Poly [ADP-ribose] polymerase 1, and poly(ADP-ribose) glycohydrolase (PARG), Uniprot A0A024R3T8, C1ID52, P05177, P08684, P09874, P10635, P11712, P33261, Q6GRK0, Q86W56, and S5RV20
DOI: 10.7270/q29k4dwd
title: BindingDB Entry 50003077: Novel Symmetrical Benzazolyl Derivatives Endowed with Potent Anti-Heparanase Activity.

description: Small molecule binding data for protein Heparanase, Uniprot Q9Y251
DOI: 10.7270/q2fb55m4
title: BindingDB Entry 50003076: Design, synthesis, and ex vivo evaluation of a selective inhibitor for retinaldehyde dehydrogenase enzymes.

description: Small molecule binding data for protein Aldehyde dehydrogenase, mitochondrial, Retinal dehydrogenase 1, and Retinal dehydrogenase 2, Uniprot A0A384NPN7, O93344, O94788, P05091, and P27463
DOI: 10.7270/q2k35xbg
title: BindingDB Entry 50003075: Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).

description: Small molecule binding data for protein Protein ENL, Uniprot Q03111
DOI: 10.7270/q25t3p53
title: BindingDB Entry 50003078: Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7), Epidermal growth factor receptor, Non-receptor tyrosine-protein kinase TYK2, Receptor protein-tyrosine kinase erbB-4, Receptor tyrosine-protein kinase erbB-2, TEC family kinase, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, Tyrosine-protein kinase TEC, and Tyrosine-protein kinase TXK, Uniprot A0A024R7E4, A0A024R7M7, O14733, O60674, P00533, P04626, P23458, P29597, P42680, P42681, P51451, P51813, P52333, Q06187, Q08881, Q15303, and X5DNK3
DOI: 10.7270/q2251mwf
title: BindingDB Entry 50003079: Probing the ligand preferences of the three types of bacterial pantothenate kinase.

description: Small molecule binding data for protein Type III pantothenate kinase, Uniprot A0A1J9X153 and Q81VX4
DOI: 10.7270/q2sn0cpt
title: BindingDB Entry 50003082: Matrix metalloproteinase-12 inhibitors: synthesis, structure-activity relationships and intestinal absorption of novel sugar-based biphenylsulfonamide carboxylates.

description: Small molecule binding data for protein Matrix metalloproteinase 12 and Matrix metalloproteinase-9, Uniprot P14780 and P39900
DOI: 10.7270/q2xd14dj
title: BindingDB Entry 50003080: PPARγ-sparing thiazolidinediones as insulin sensitizers. Design, synthesis and selection of compounds for clinical development.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 2C8, Cytochrome P450 2C9, Mitochondrial pyruvate carrier 2, and Peroxisome proliferator-activated receptor, Uniprot A0A024R8Z5, O95563, P10632, P11712, P37231, P40989, and S5RV20
DOI: 10.7270/q2j38w80
title: BindingDB Entry 50003084: Discovery of Clinical Candidate 2-(4-(2-((1 H-Benzo[ d]imidazol-2-yl)thio)ethyl)piperazin-1-yl)- N-(6-methyl-2,4-bis(methylthio)pyridin-3-yl)acetamide Hydrochloride [K-604], an Aqueous-Soluble Acyl-CoA:Cholesterol O-Acyltransferase-1 Inhibitor.

description: Small molecule binding data for protein Sterol O-acyltransferase 1 and Sterol O-acyltransferase 2, Uniprot O75908 and P35610
DOI: 10.7270/q2nv9mzj
title: BindingDB Entry 50003083: Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.

description: Small molecule binding data for protein Aldo-keto reductase family 1 member C1 and Aldo-keto-reductase family 1 member C3, Uniprot P42330 and Q04828
DOI: 10.7270/q2db84jn
title: BindingDB Entry 50003085: 4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.

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/q28k7csg
title: BindingDB Entry 50003086: Synthesis and biological evaluation of novel N-substituted nipecotic acid derivatives with a trans-alkene spacer as potent GABA uptake inhibitors.

description: Small molecule binding data for protein GABA transporter and GABA transporter 1, Uniprot P23978, P31649, and P31650
DOI: 10.7270/q2154kr2
title: BindingDB Entry 50003089: First macrocyclic 3

description: Small molecule binding data for protein EML4-ALK , Neurotrophic tyrosine kinase receptor, and Proto-oncogene tyrosine-protein kinase ROS, Uniprot P08922, Q16620, Q548C2, Q9HC35, and Q9UM73
DOI: 10.7270/q24x5bgg
title: BindingDB Entry 50003088: Affinity-based small fluorescent probe for NAD(P)H:quinone oxidoreductase 1 (NQO1). Design, synthesis and pharmacological evaluation.

description: Small molecule binding data for protein NAD(P)H dehydrogenase [quinone] 1, Uniprot P15559
DOI: 10.7270/q2rn3bjf
title: BindingDB Entry 50003091: Natural Products with Heteroatom-Rich Ring Systems.

description: Small molecule binding data for protein Protein kinase C (PKC), Uniprot A0A024R328, L7RSM7, L7RTI5, O94806, P05129, P05771, P17252, P24723, P41743, Q02156, Q04759, Q05513, Q05655, and Q15139
DOI: 10.7270/q2wd4385
title: BindingDB Entry 50003090: A comprehensive review on Aurora kinase: Small molecule inhibitors and clinical trial studies.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Aurora kinase A/Targeting protein for Xklp2, Aurora kinase B, Aurora-C/INCENP, Serine/threonine-protein kinase Aurora-C, and Targeting protein for Xklp2, Uniprot O14965, P40989, Q643R0, Q96GD4, Q9NQS7, Q9ULW0, and Q9UQB9
DOI: 10.7270/q2mw2ktq
title: BindingDB Entry 50003092: Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.

description: Small molecule binding data for protein CDK-activating kinase assembly factor MAT1/Cyclin H/Cyclin-dependent kinase 7, Cyclin-C, Cyclin-Dependent Kinase 9 (CDK9), Dual specificity protein kinase CLK1/CLK4, Dual specificity protein kinase CLK2, Dual specificity protein kinase CLK3, Interleukin-1 receptor-associated kinase 1, and Interleukin-1 receptor-associated kinase 4, Uniprot A0A024R688, A0A024R880, A0A0S2Z3F9, A8K7I0, O60563, P24863, P49759, P49760, P49761, P50613, P50750, P51617, P51946, P51948, Q69FE3, Q7Z4L3, Q9HAZ1, and Q9NWZ3
DOI: 10.7270/q2h41v3q
title: BindingDB Entry 50003093: Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase 1A (DYRK1A) Inhibitors as Potential Therapeutics.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A, Casein kinase 2, Casein kinase II subunit alpha 3, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 2 (CDK2), Cyclin-dependent kinase 9, Dual specificity protein kinase CLK1/CLK4, Dual specificity protein kinase CLK2, Dual specificity tyrosine-phosphorylation-regulated kinase 1B, Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 2, Dual-specificity tyrosine-phosphorylation regulated kinase 3, Glycogen synthase kinase-3, and MAP kinase-activated protein kinase 5, Uniprot A0A024R0I0, A0A024R0L5, A0A024R880, A0A024RB77, A8K7I0, N0E4C7, O43781, P06493, P14635, P19139, P20248, P21397, P24941, P49759, P49760, P49840, P49841, P50750, P67870, Q13627, Q53YE7, Q63470, Q6FI27, Q8IW41, Q8NEV1, Q92630, and Q9Y463
DOI: 10.7270/q2cc13cc
title: BindingDB Entry 50003094: Novel, potent, selective and brain penetrant vasopressin 1b receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 3A and Vasopressin V1b receptor, Uniprot P08684, P47901, and Q6GRK0
DOI: 10.7270/q23x89b3
title: BindingDB Entry 50003096: Synthesis and bioactivity of 3,5-dimethylpyrazole derivatives as potential PDE4 inhibitors.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot A0A140VJR0, Q07343, Q08499, and X5DNX5
DOI: 10.7270/q27p922t
title: BindingDB Entry 50003095: Discovery of 3-Cyano- N-(3-(1-isobutyrylpiperidin-4-yl)-1-methyl-4-(trifluoromethyl)-1 H-pyrrolo[2,3- b]pyridin-5-yl)benzamide: A Potent, Selective, and Orally Bioavailable Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonist.

description: Small molecule binding data for protein Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, Nuclear receptor ROR-gamma, and Nuclear receptor ROR-gamma (RORC), Uniprot A0A1L4FMK7, P35398, P51449, P51450, Q6I9R9, and Q92753
DOI: 10.7270/q2057jmp
title: BindingDB Entry 50003098: Tetrahydroquinoline and tetrahydroisoquinoline derivatives as potential selective PDE4B inhibitors.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot A0A140VJR0, Q07343, Q08499, and X5DNX5
DOI: 10.7270/q2qn69fh
title: BindingDB Entry 50003100: New piperidine-based derivatives as sigma receptor ligands. Synthesis and pharmacological evaluation.

description: Small molecule binding data for protein Sigma intracellular receptor 2 and Sigma non-opioid intracellular receptor 1, Uniprot Q5U3Y7 and Q9R0C9
DOI: 10.7270/q2vd724s
title: BindingDB Entry 50003099: Na

description: Small molecule binding data for protein Sodium channel protein type 9 subunit alpha, Uniprot Q15858
DOI: 10.7270/q2kw5jpb
title: BindingDB Entry 50003101: Identification of potent RORβ modulators: Scaffold variation.

description: Small molecule binding data for protein Nuclear receptor ROR-beta and Nuclear receptor ROR-gamma (RORC), Uniprot A0A1L4FMK7, P51449, Q6I9R9, and Q92753
DOI: 10.7270/q2g44szx
title: BindingDB Entry 50003102: Discovery and optimization of novel benzothiophene-3-carboxamides as highly potent inhibitors of Aurora kinases A and B.

description: Small molecule binding data for protein Aurora kinase A/Targeting protein for Xklp2 and Aurora kinase B, Uniprot O14965 and Q96GD4
DOI: 10.7270/q26q20z1
title: BindingDB Entry 50003104: Design and synthesis of tetrahydropyridopyrimidine based Toll-Like Receptor (TLR) 7/8 dual agonists.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P05177, P08684, P10632, P10635, P11712, P33261, P40989, Q6GRK0, and S5RV20
DOI: 10.7270/q2bg2rpc
title: BindingDB Entry 50003103: Discovery of super soft-drug modulators of sphingosine-1-phosphate receptor 1.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor, Uniprot P21453
DOI: 10.7270/q22z187q
title: BindingDB Entry 50003105: Discovery of novel spiro[chromane-2,4'-piperidine] derivatives as potent and orally bioavailable G-protein-coupled receptor 119 agonists.

description: Small molecule binding data for protein Glucose-dependent insulinotropic receptor, Uniprot Q8TDV5
DOI: 10.7270/q2z60rrb
title: BindingDB Entry 50003107: Amelioration of PXR-mediated CYP3A4 induction by mGluR2 modulators.

description: Small molecule binding data for protein Metabotropic glutamate receptor 2, Uniprot P31421 and Q14416
DOI: 10.7270/q2tf011d
title: BindingDB Entry 50003108: Design, synthesis and biological evaluation of ring A modified 11-keto-boswellic acid derivatives as Pin1 inhibitors with remarkable anti-prostate cancer activity.

description: Small molecule binding data for protein Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Uniprot Q13526
DOI: 10.7270/q2pn9894
title: BindingDB Entry 50003109: Developing potential Helicobacter pylori urease inhibitors from novel oxoindoline derivatives: Synthesis, biological evaluation and in silico study.

description: Small molecule binding data for protein Urease subunit beta, Uniprot Q0PXQ5
DOI: 10.7270/q2jw8hkd
title: BindingDB Entry 50003110: Novel inhibitors of As(III) S-adenosylmethionine methyltransferase (AS3MT) identified by virtual screening.

description: Small molecule binding data for protein Arsenite methyltransferase, Histone-lysine N-methyltransferase, H3 lysine-79 specific, and Nuclear SET domain-containing protein 2 (NSD2), Uniprot O96028, Q8TEK3, and Q9HBK9