cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q23n21p7
title: BindingDB Entry 2895: Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIII, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q9D6N1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q24m92sm
title: BindingDB Entry 1212: Synthesis of Potent Oxindole CDK2 Inhibitors

description: Small molecule binding data for protein CDK2/CycE, Uniprot P24864 and P24941
DOI: 10.7270/q27d2sf1
title: BindingDB Entry 2893: Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-ray crystallographic studies.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIII, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q9D6N1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q28c9tgh
title: BindingDB Entry 1210: Structure-Activity Relationships of a New Family of Steroidal Aromatase Inhibitors. 1. Synthesis and Evaluation of a Series of Analogs Related to 19-[(Methylthio)methyl]androstenedione (RU54115)

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q298857d
title: BindingDB Entry 1200: Hepatitis C virus NS3-4A serine protease inhibitors: Use of a P2-P1cyclopropyl alanine combination for improved potency.

description: Small molecule binding data for protein HCV NS3-NS4A Serine Proteinase, Uniprot P27958
DOI: 10.7270/q2c53j5r
title: BindingDB Entry 2892: Synthesis, biological evaluation and molecular modelling of N-heterocyclic dipeptide aldehydes as selective calpain inhibitors.

description: Small molecule binding data for protein Calpain-1 and Calpain-2, Uniprot A8IF71 and B2ZA85
DOI: 10.7270/q2d21vth
title: BindingDB Entry 1208: 1-Imidazolyl(alkyl)-Substituted Di- and Tetrahydroquinolines and Analogues: Syntheses and Evaluation of Dual Inhibitors of Thromboxane A(2) Synthase and Aromatase.

description: Small molecule binding data for protein Aromatase (CYP19) and Thromboxane A2 Synthase (P450 TxA2), Uniprot P11511 and P24557
DOI: 10.7270/q2ft8jgv
title: BindingDB Entry 4009: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma)

description: Small molecule binding data for protein nuclear receptor coactivator 1 isoform 1, Uniprot Q15788
DOI: 10.7270/q2gt5kks
title: BindingDB Entry 4001: YopH - IC50 determinations (10 point dose range)

description: Small molecule binding data for protein YopH, Uniprot P15273
DOI: 10.7270/q2gx48wr
title: BindingDB Entry 2890: A study of the structure-activity relationship of GABA(A)-benzodiazepine receptor bivalent ligands by conformational analysis with low temperature NMR and X-ray analysis.

description: Small molecule binding data for protein GABAA Receptor, alpha-1, beta-3, gamma-2, GABAA Receptor, alpha-2, beta-3, gamma-2, GABAA Receptor, alpha-3, beta-3, gamma-2, GABAA Receptor, alpha-4, beta-3, gamma-2, GABAA Receptor, alpha-5, beta-3, gamma-2, and GABAA Receptor, alpha-6, beta-3, gamma-2
DOI: 10.7270/q2ht2mhg
title: BindingDB Entry 1207: First Dual Aromatase-Steroid Sulfatase Inhibitors

description: Small molecule binding data for protein Aromatase (CYP19) and Steroid Sulfatase (STS), Uniprot P08842 and P11511
DOI: 10.7270/q2kk996k
title: BindingDB Entry 4008: Dose response biochemical screening assay for inhibitors of c-Jun N-Terminal Kinase 3 (JNK3)

description: Small molecule binding data for protein Mitogen-activated protein kinase 10, Uniprot P53779
DOI: 10.7270/q2mp51k1
title: BindingDB Entry 2889: The molecular interactions of buspirone analogues with the serotonin transporter.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET) and Sodium-dependent serotonin transporter, Uniprot P31645 and P31652
DOI: 10.7270/q2nk3c76
title: BindingDB Entry 1206: Potent CYP19 (Aromatase) 1-[(Benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole Inhibitors: Synthesis and Biological Evaluation

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2rb72xg
title: BindingDB Entry 2887: Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1).

description: Small molecule binding data for protein 17-beta-Hydroxysteroid Dehydrogenase 1 (17-beta-HSD1) and Estradiol 17-beta-dehydrogenase 2, Uniprot P14061 and P37059
DOI: 10.7270/q2sb43zh
title: BindingDB Entry 1205: Role of Hydrophilic Interaction in Binding of Hydroxylated 3-Deoxy C19 Steroids to the Active Site of Aromatase.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2v1235z
title: BindingDB Entry 4006: Dose response counterscreen assay for neuropeptide Y receptor Y1 (NPY-Y1): Cell-based high throughput assay to measure NPY-Y2 antagonism

description: Small molecule binding data for protein Neuropeptide Y receptor type 2, Uniprot P49146
DOI: 10.7270/q2v40sjf
title: BindingDB Entry 2906: Synthesis and biological evaluation of 4-amino derivatives of benzimidazoquinoxaline, benzimidazoquinoline, and benzopyrazoloquinazoline as potent IKK inhibitors.

description: Small molecule binding data for protein I-kappa-B Kinase 1 (IKK-alpha) and Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920 and O15111
DOI: 10.7270/q2w37tmc
title: BindingDB Entry 2886: Structure-based approach to the development of potent and selective inhibitors of dihydrofolate reductase from cryptosporidium.

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR) and Dihydrofolate reductase, Uniprot P00374
DOI: 10.7270/q2x34vpv
title: BindingDB Entry 1203: Synthesis and Structure-Activity Relationships of 6-Substituted Androst-4-ene Analogs as Aromatase Inhibitors.

description: Small molecule binding data for protein Aromatase (CYP19), Uniprot P11511
DOI: 10.7270/q2zs2twk
title: BindingDB Entry 4005: Dose response cell-based screening assay for antagonists of neuropeptide Y receptor Y1 (NPY-Y1)

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Uniprot P25929
DOI: 10.7270/q2zw1j7d
title: BindingDB Entry 2899: Carbonic anhydrase inhibitors: synthesis and inhibition studies against mammalian isoforms I-XV with a series of 2-(hydrazinocarbonyl)-3-substituted-phenyl-1H-indole-5-sulfonamides.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIII, Carbonic Anhydrase XIV, Carbonic Anhydrase XV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q9D6N1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q21j984z
title: BindingDB Entry 4020: E3 Ligase dose-response_384

description: Small molecule binding data for protein E3 ubiquitin-protein ligase Mdm2, Uniprot Q00987
DOI: 10.7270/q22n50k9
title: BindingDB Entry 2917: Identification of a new JNK inhibitor targeting the JNK-JIP interaction site.

description: Small molecule binding data for protein c-Jun N-terminal kinase, JNK, Uniprot P45983
DOI: 10.7270/q23n21mb
title: BindingDB Entry 1226: Design, Synthesis, and Biological Evaluation of Isoquinoline-1,3,4-trione Derivatives as Potent Caspase-3 Inhibitors.

description: Small molecule binding data for protein Caspase-2, Caspase-3, Caspase-6, Caspase-7, and Caspase-8, Uniprot P42574, P42575, P55210, P55212, and Q14790
DOI: 10.7270/q25b00vt
title: BindingDB Entry 4019: RNA polymerase SAR

description: Small molecule binding data for protein RNA polymerase beta subunit (EC 2.7.7.6), Uniprot A0A0E2LB94
DOI: 10.7270/q2697202
title: BindingDB Entry 4011: Multiplexed dose response screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Mcl-1.

description: Small molecule binding data for protein Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot Q07820
DOI: 10.7270/q26d5r86
title: BindingDB Entry 2916: The identification of potent, selective and CNS penetrant furan-based inhibitors of B-Raf kinase.

description: Small molecule binding data for protein RAF serine/threonine protein kinase, Uniprot P15056
DOI: 10.7270/q27d2sc4
title: BindingDB Entry 1225: Computational Strategies in Discovering Novel Non-nucleoside Inhibitors of HIV-1 RT

description: Small molecule binding data for protein HIV-1 Reverse Transcriptase
DOI: 10.7270/q2930rk5
title: BindingDB Entry 4018: PLK1 counterscreening assay  for identified PKD inhibitors

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1, Uniprot P53350
DOI: 10.7270/q2b27sq0
title: BindingDB Entry 4010: Multiplexed high-throughput screen for small molecule regulators of Bcl-2 family protein interactions, specifically Bim-Bcl-2

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Uniprot P10415
DOI: 10.7270/q2b56h1c
title: BindingDB Entry 2913: Design and Synthesis of Orally Bioavailable Benzimidazoles as Raf Kinase Inhibitors.

description: Small molecule binding data for protein B-RAF V600E and C-RAF, Uniprot P04049
DOI: 10.7270/q2c53j2d
title: BindingDB Entry 1224: Novel nevirapine-like inhibitors with improved activity against NNRTI-resistant HIV: 8-heteroarylthiomethyldipyridodiazepinone derivatives.

description: Small molecule binding data for protein HIV-1 Reverse Transcriptase and HIV-1 Reverse Transcriptase Mutant (K103N/Y181C)
DOI: 10.7270/q2dv1h9k
title: BindingDB Entry 4017: CDK7 counterscreen of confirmed PKD inhibitors-57K library addition

description: Small molecule binding data for protein CDK7/Cyclin H/MNAT1, Uniprot P50613
DOI: 10.7270/q2fx77rc
title: BindingDB Entry 2912: Biphenyl amide p38 kinase inhibitors 2: Optimisation and SAR.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2gt5kdj
title: BindingDB Entry 1221: Discovery of a Novel Class of Reversible Non-Peptide Caspase Inhibitors via a Structure-Based Approach.

description: Small molecule binding data for protein Caspase-3, Caspase-7, and Caspase-8, Uniprot P42574, P55210, and Q14790
DOI: 10.7270/q2jm282r
title: BindingDB Entry 4016: AKT counterscreen of confirmed PKD inhibitors-57K library

description: Small molecule binding data for protein AKT/p21CIP1, Uniprot P31749
DOI: 10.7270/q2kp80g3
title: BindingDB Entry 2911: Biphenyl amide p38 kinase inhibitors 1: Discovery and binding mode.

description: Small molecule binding data for protein Lck, Mitogen-Activated Protein Kinase 10 (JNK3), and Mitogen-activated protein kinase 14, Uniprot P06240, P53779, and Q16539
DOI: 10.7270/q2mk6b3t
title: BindingDB Entry 1219: Identification of Potent and Novel Small-Molecule Inhibitors of Caspase-3.

description: Small molecule binding data for protein Caspase-3, Uniprot P42574
DOI: 10.7270/q2pc30s2
title: BindingDB Entry 4015: Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rac activated mutant

description: Small molecule binding data for protein Ras-related C3 botulinum toxin substrate 1, Uniprot P63001
DOI: 10.7270/q2q81bgp
title: BindingDB Entry 4007: Dose response counterscreen for neuropeptide Y receptor Y2 (NPY-Y2): Cell-based high throughput assay to measure NPY-Y1 antagonism

description: Small molecule binding data for protein Neuropeptide Y receptor type 1, Uniprot P25929
DOI: 10.7270/q2qc01qr
title: BindingDB Entry 1247: Synthesis and Structure-Activity Relationship of 4-Substituted 2-(2-Acetyloxyethyl)-8-(morpholine-4-sulfonyl)pyrrolo[3,4-c]quinoline-1,3-diones as Potent Caspase-3 Inhibitors

description: Small molecule binding data for protein Caspase-3, Uniprot P42574
DOI: 10.7270/q2qf8r50
title: BindingDB Entry 2907: Synthesis and structure-activity relationship of imidazo(1,2-a)thieno(3,2-e)pyrazines as IKK-beta inhibitors.

description: Small molecule binding data for protein I-kappa-B Kinase 1 (IKK-alpha) and Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920 and O15111
DOI: 10.7270/q2rb72t4
title: BindingDB Entry 1216: Lysine sulfonamides as novel HIV-protease inhibitors: Nepsilon-acyl aromatic alpha-amino acids.

description: Small molecule binding data for protein HIV-1 Protease
DOI: 10.7270/q2t15221
title: BindingDB Entry 4014: Multiplex dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Rab2 wildtype

description: Small molecule binding data for protein Ras-related protein Rab-2A., Uniprot P61105
DOI: 10.7270/q2t72frg
title: BindingDB Entry 2921: Inhibition of IKK-2 by 2-[(aminocarbonyl)amino]-5-acetylenyl-3-thiophenecarboxamides.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920
DOI: 10.7270/q2v40sdn
title: BindingDB Entry 1237: N-Benzylisatin Sulfonamide Analogues as Potent Caspase-3 Inhibitors: Synthesis, in Vitro Activity, and Molecular Modeling Studies.

description: Small molecule binding data for protein Caspase-1, Caspase-3, Caspase-6, Caspase-7, and Caspase-8, Uniprot P29466, P42574, P55210, P55212, and Q14790
DOI: 10.7270/q2w37tjg
title: BindingDB Entry 1214: 3,5,6-Trisubstituted Naphthostyrils as CDK2 Inhibitors.

description: Small molecule binding data for protein CDK2/CycE, Uniprot P24864 and P24941
DOI: 10.7270/q2xs5ssn
title: BindingDB Entry 4013: Multiplexed dose response to identify specific small molecule inhibitors of Ras and Ras-related GTPases specifically Ras wildtype

description: Small molecule binding data for protein ras protein
DOI: 10.7270/q2xw4h4g
title: BindingDB Entry 2919: Indazole-Based Liver X Receptor (LXR) Modulators with Maintained Atherosclerotic Lesion Reduction Activity but Diminished Stimulation of Hepatic Triglyceride Synthesis.

description: Small molecule binding data for protein Liver X Receptor alpha (LXR-alpha) and Liver X Receptor beta (LXR-beta)
DOI: 10.7270/q20k26z8
title: BindingDB Entry 4028: SAR assay  for compounds activating TNAP in the absence of phosphate acceptor performed in a luminescent assay

description: Small molecule binding data for protein Alkaline phosphatase, tissue-nonspecific isozyme, Uniprot P05186
DOI: 10.7270/q21r6ntd
title: BindingDB Entry 2928: N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of Lck: indazoles as phenol isosteres with improved pharmacokinetics.

description: Small molecule binding data for protein Lck, Uniprot P06240
DOI: 10.7270/q22n50gz
title: BindingDB Entry 1254: Dual-Site Binding of Bivalent 4-Aminopyridine- and 4-Aminoquinoline-Based AChE Inhibitors: Contribution of the Hydrophobic Alkylene Tether to Monomer and Dimer Affinities.

description: Small molecule binding data for protein Acetylcholinesterase and Acetylcholinesterase and butyrylcholinesterase (AChE and BChE), Uniprot P37136
DOI: 10.7270/q24b2zpm
title: BindingDB Entry 4027: Chemical Antagonists of IAP-family anti-apoptotic proteins confirmation

description: Small molecule binding data for protein X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170
DOI: 10.7270/q25d8q58
title: BindingDB Entry 2926: Discovery of Boronic Acids as Novel and Potent Inhibitors of Fatty Acid Amide Hydrolase.

description: Small molecule binding data for protein Anandamide amidohydrolase and Monoglyceride Lipase (MGL), Uniprot P97612 and Q99685
DOI: 10.7270/q26d5r69
title: BindingDB Entry 1253: Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P04058 and P37136
DOI: 10.7270/q2833qdb
title: BindingDB Entry 4026: Counterscreen assay for inhibitors of Wee1 degradation: dose response cell-based assay to identify inhibitors of cyclin B degradation

description: Small molecule binding data for protein G2/mitotic-specific cyclin-B1, Uniprot P14635
DOI: 10.7270/q2959fv4
title: BindingDB Entry 2925: Inhibitor Scaffolds for 2-Oxoglutarate-Dependent Histone Lysine Demethylases.

description: Small molecule binding data for protein Histone Lysine Demethylase, Uniprot B2RXH2
DOI: 10.7270/q2b56gz2
title: BindingDB Entry 1251: Potent Acetylcholinesterase Inhibitors: Design, Synthesis, and Structure-Activity Relationships of Bis-interacting Ligands in the Galanthamine Series

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P04058
DOI: 10.7270/q2cv4g4r
title: BindingDB Entry 4025: Dose Response Cell-based Assay for Inhibitors of Wee1 Degradation

description: Small molecule binding data for protein WEE1 homolog (S. pombe), Uniprot P30291
DOI: 10.7270/q2dz06mj
title: BindingDB Entry 2924: The T790M mutation in EGFR kinase causes drug resistance by increasing the affinity for ATP.

description: Small molecule binding data for protein EGF-R Tyrosine Kinase Mutant (L858R), EGF-R Tyrosine Kinase Mutant (L858R/T790M), EGF-R Tyrosine Kinase Mutant (T790M), and Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2fx77n1
title: BindingDB Entry 1250: The Complex of a Bivalent Derivative of Galanthamine with Torpedo Acetylcholinesterase Displays Drastic Deformation of the Active-Site Gorge: Implications for Structure-Based Drug Design.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275 and P04058
DOI: 10.7270/q2hm56v2
title: BindingDB Entry 4024: Dose response counterscreen assay for STAT3 activators: cell-based high throughput assay to measure STAT1 activation

description: Small molecule binding data for protein Transcription Factor STAT1, Uniprot P42224
DOI: 10.7270/q2jq0z7j
title: BindingDB Entry 1261: Rational Approach To Discover Multipotent Anti-Alzheimer Drugs.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2jq0zbw
title: BindingDB Entry 2923: Structures of lung cancer-derived EGFR mutants and inhibitor complexes: mechanism of activation and insights into differential inhibitor sensitivity.

description: Small molecule binding data for protein EGF-R Tyrosine Kinase Mutant (G719S), EGF-R Tyrosine Kinase Mutant (L858R), and Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2kk991b
title: BindingDB Entry 1248: 1,3-Dioxo-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinolines as potent caspase-3 inhibitors.

description: Small molecule binding data for protein Caspase-3, Uniprot P42574
DOI: 10.7270/q2nc5zmv
title: BindingDB Entry 4023: Dose response counterscreen for STAT1 activators: cell-based high throughput assay to measure STAT3 activation

description: Small molecule binding data for protein STAT3
DOI: 10.7270/q2ng4nz8
title: BindingDB Entry 2937: Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles.

description: Small molecule binding data for protein XIAP-BIR3
DOI: 10.7270/q2pg1q2m
title: BindingDB Entry 2922: Fragment-based substrate activity screening method for the identification of potent inhibitors of the Mycobacterium tuberculosis phosphatase PtpB.

description: Small molecule binding data for protein Dual specificity protein phosphatase (VHR), Probable low molecular weight protein-tyrosine-phosphatase, Protein Tyrosine Phosphatase PTPB, Receptor-type tyrosine-protein phosphatase F (LAR), T-cell protein-tyrosine phosphatase, and Tyrosine-Protein Phosphatase (CD45), Uniprot P08575, P10586, P17706, P51452, and P9WIA1
DOI: 10.7270/q2s46qbk
title: BindingDB Entry 4022: Dose response cell-based assay to measure STAT3 activation

description: Small molecule binding data for protein STAT3
DOI: 10.7270/q2ws8rn8
title: BindingDB Entry 4021: Dose response cell-based assay to measure STAT1 inhibition

description: Small molecule binding data for protein Transcription Factor STAT1, Uniprot P42224
DOI: 10.7270/q2x065c8
title: BindingDB Entry 2930: Carbonic anhydrase inhibitors: inhibition of mammalian isoforms I-XIV with a series of substituted phenols including paracetamol and salicylic acid.

description: Small molecule binding data for protein Carbonic Anhydrase III, Carbonic Anhydrase VA, Carbonic Anhydrase VB, Carbonic Anhydrase XIII, Carbonic Anhydrase XIV, Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 4, Carbonic anhydrase 6 (CA-VI), Carbonic anhydrase 7, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P07451, P22748, P23280, P35218, P43166, Q16790, Q9D6N1, Q9ULX7, and Q9Y2D0
DOI: 10.7270/q2xw4h0p
title: BindingDB Entry 1257: Highly potent, selective, and low cost bis-tetrahydroaminacrine inhibitors of acetylcholinesterase. Steps toward novel drugs for treating Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Acetylcholinesterase and butyrylcholinesterase (AChE and BChE), Uniprot P37136
DOI: 10.7270/q2zw1j42
title: BindingDB Entry 1231: Potent and Selective Nonpeptide Inhibitors of Caspases 3 and 7.

description: Small molecule binding data for protein Caspase-1, Caspase-2, Caspase-3, Caspase-4, Caspase-6, Caspase-7, Caspase-8, and Caspase-9, Uniprot P29466, P42574, P42575, P49662, P55210, P55211, P55212, and Q14790
DOI: 10.7270/q20r9mqg
title: BindingDB Entry 2942: Lead Optimization of 4-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A Adenosine Receptor Antagonists for the Treatment of Parkinson's Disease.

description: Small molecule binding data for protein Adenosine receptor A1 and Adenosine receptor A2a, Uniprot P29274 and P30542
DOI: 10.7270/q21n7zb6
title: BindingDB Entry 1273: Synthesis and Pharmacological Evaluation of Huprine-Tacrine Heterodimers: Subnanomolar Dual Binding Site Acetylcholinesterase Inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q23b5xkp
title: BindingDB Entry 4035: Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Dose-Dependent Assay 2 with KCC2

description: Small molecule binding data for protein electroneutral potassium-chloride cotransporter KCC2, Uniprot Q9H2X9
DOI: 10.7270/q24j0cd9
title: BindingDB Entry 2941: Structure-activity studies on a series of a 2-aminopyrimidine-containing histamine H4 receptor ligands.

description: Small molecule binding data for protein Histamine H3 receptor, Histamine H4 Receptor, Histamine receptor (H3), and Histamine receptor (H4), Uniprot Q91ZY1, Q9H3N8, Q9QYN8, and Q9Y5N1
DOI: 10.7270/q25d8q2x
title: BindingDB Entry 1271: Nicotinyl Aspartyl Ketones as Inhibitors of Caspase-3.

description: Small molecule binding data for protein Caspase-3, Uniprot P42574
DOI: 10.7270/q2736p9d
title: BindingDB Entry 4034: Neoglycopeptides as inhibitors of oligosaccharyl transferase: insight into negotiating product inhibition.

description: Small molecule binding data for protein Oligosaccharyl transferase (OT), Uniprot P41543