cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6075/j0tm7b8g
title: When a Machine 'Learns'. In Art of Science

description: Caption: An algorithm inspired by biological neuronal structure learns how to predict unseen human behavior Participant category: Undergraduate student Department: Halıcıoğlu Data Science Institute The point at which the seemingly innocuous red line crosses under the blue represents something magnificent—an artificial neural network performing better on data consisting of unseen human behavior than the data it was trained on. This indicates that the algorithm has truly "learned" the underlying behavior patterns of the people in the data. The simplistic beauty in these two unassuming lines was the product of a research collaboration between the Halıcıoğlu Data Science Institute and Intel, wherein our team sought to predict PC user behavior in order to preemptively load applications. By preloading applications a user would likely use, we were able to improve overall system fluidity, which is especially important for those without access to newer, higher end PC hardware. This image shows the performance of a LSTM model, a neural network based on a structure of connected memory blocks. Over the course of a day, this model was able to predict the duration a user would use a given app within 45 seconds. The blue line indicates the model's performance on training data, while the red line indicates its performance on unseen data (where lower values indicate a more accurate model).
DOI: 10.7270/q21839rd
title: BindingDB Entry 10795: JAK inhibitor and use thereof

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, and Tyrosine-protein kinase JAK3, Uniprot O60674, P23458, P29597, and P52333
DOI: 10.7270/q21839sv
title: BindingDB Entry 50006756: Building Bridges in a Series of Estrogen Receptor Degraders: An Application of Metathesis in Medicinal Chemistry.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Estrogen receptor, Uniprot P03372, P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q21839t9
title: BindingDB Entry 50007347: Diazaspirononane Inhibitors of O-GlcNAc Hydrolase for the Treatment of Central Nervous System Diseases.

description: Small molecule binding data for protein Protein O-GlcNAcase, Uniprot O60502
DOI: 10.7270/q21839vr
title: BindingDB Entry 50007963: Synthesis and in Vitro and in Vivo Biological Evaluation of Tissue-Specific Bisthiazole Histone Deacetylase (HDAC) Inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 11, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 7, Histone deacetylase 8, Histone deacetylase 9, NAD-dependent protein deacetylase sirtuin-1, NAD-dependent protein deacetylase sirtuin-2, NAD-dependent protein deacetylase sirtuin-3, mitochondrial, and Polyamine deacetylase HDAC10, Uniprot O15379, P56524, Q13547, Q8IXJ6, Q8WUI4, Q92769, Q969S8, Q96DB2, Q96EB6, Q9BY41, Q9NTG7, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q21839w6
title: BindingDB Entry 50008574: Selective Estrogen Receptor Degraders for the Potential Treatment of Cancer.

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372
DOI: 10.7270/q21839xn
title: BindingDB Entry 50008946: Discovery of a novel class of potent and selective tetrahydroindazole-based sigma-1 receptor ligands.

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/q21839z3
title: BindingDB Entry 50009224: Design, synthesis and biological evaluation of novel human monoamine oxidase B inhibitors based on a fragment in an X-ray crystal structure.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q2183b0z
title: BindingDB Entry 50009557: High-throughput screening of novel pyruvate dehydrogenase kinases inhibitors and biological evaluation of their in vitro and in vivo antiproliferative activity.

description: Small molecule binding data for protein Heat shock protein HSP 90-alpha/90-beta, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial, and [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial, Uniprot P07900, P08238, Q15118, Q15119, Q15120, and Q16654
DOI: 10.7270/q2183b1d
title: BindingDB Entry 50009842: Macrocyclic Prodrugs of a Selective Nonpeptidic Direct Thrombin Inhibitor Display High Permeability, Efficient Bioconversion but Low Bioavailability.

description: Small molecule binding data for protein Coagulation factor IX, Coagulation factor X, Coagulation factor XI, Cytochrome P450 3A4, Plasminogen, Prothrombin, and Serine protease 1, Uniprot P00734, P00740, P00742, P00747, P03951, P07477, and P08684
DOI: 10.7270/q2183b2v
title: BindingDB Entry 50010157: SAR studies in the sulfonyl carboxamide class of HBV capsid assembly modulators.

description: Small molecule binding data for protein Capsid protein, Uniprot Q03732
DOI: 10.7270/q2183b39
title: BindingDB Entry 50010748: Bifunctional Naphtho[2,3-

description: Small molecule binding data for protein Dihydroorotate dehydrogenase (quinone), mitochondrial, Uniprot Q02127
DOI: 10.7270/q2183b4r
title: BindingDB Entry 50011373: TBA

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Somatostatin receptor type 1, Somatostatin receptor type 2, Somatostatin receptor type 3, Somatostatin receptor type 4, and Somatostatin receptor type 5, Uniprot P08684, P10635, P11712, P30872, P30874, P31391, P32745, P33261, P35346, and P40989
DOI: 10.7270/q2183b56
title: BindingDB Entry 50012013: Novel 1,3,4-thiadiazole compounds as potential MAO-A inhibitors - design, synthesis, biological evaluation and molecular modelling.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Uniprot P21397
DOI: 10.7270/q2183b6n
title: BindingDB Entry 50012331: Novel 3-substituted coumarins as selective human carbonic anhydrase IX and XII inhibitors: Synthesis, biological and molecular dynamics analysis.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q2183b73
title: BindingDB Entry 50012628: Structure-based lead optimization to improve antiviral potency and ADMET properties of phenyl-1H-pyrrole-carboxamide entry inhibitors targeted to HIV-1 gp120.

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, and Cytochrome P450 3A4, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, P33261, and P40989
DOI: 10.7270/q2183b8j
title: BindingDB Entry 50012955: Synthesis and Biological Evaluation of Pyrroloindolines as Positive Allosteric Modulators of the α1β2γ2 GABA

description: Small molecule binding data for protein Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2, Uniprot P14867, P18507, and P47870
DOI: 10.7270/q2183b90
title: BindingDB Entry 50013613: Computer-aided design of 1,4-naphthoquinone-based inhibitors targeting cruzain and rhodesain cysteine proteases.

description: Small molecule binding data for protein Cruzipain and Cysteine protease, Uniprot P25779 and Q95PM0
DOI: 10.7270/q2183bbf
title: BindingDB Entry 50014263: Novel Substituted Heterocyclic Carboxamides as Adrenoreceptor ADRAC2 Inhibitors for Treating Diseases.

description: Small molecule binding data for protein Alpha-2C adrenergic receptor, Uniprot P18825
DOI: 10.7270/q21c20w4
title: BindingDB Entry 9038: Method of treatment using substituted imidazo[1,2b]pyridazine compounds

description: Small molecule binding data for protein High affinity nerve growth factor receptor, Uniprot P04629
DOI: 10.7270/q21c20xk
title: BindingDB Entry 9216: Somatostatin receptor subtype 4 (SSTR4) agonists

description: Small molecule binding data for protein Somatostatin receptor type 1, Somatostatin receptor type 2, Somatostatin receptor type 3, Somatostatin receptor type 4, and Somatostatin receptor type 5, Uniprot P30872, P30874, P31391, P32745, and P35346
DOI: 10.7270/q21c20z1
title: BindingDB Entry 9425: Hormone receptor modulators for treating metabolic conditions and disorders

description: Small molecule binding data for protein Bile acid receptor, Uniprot Q96RI1
DOI: 10.7270/q21c210w
title: BindingDB Entry 9812: Pyrido five-element aromatic ring compound, preparation method therefor and use thereof

description: Small molecule binding data for protein Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2 [Y641F]/Polycomb protein EED/Polycomb protein SUZ12/Zinc finger protein AEBP2 and Histone-lysine N-methyltransferase EZH2, Uniprot O75530, Q09028, Q15022, Q15910, and Q6ZN18
DOI: 10.7270/q21c211b
title: BindingDB Entry 10199: Azalactam compounds as HPK1 inhibitors

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 1, Uniprot Q92918
DOI: 10.7270/q21c212s
title: BindingDB Entry 10586: CYCLOPENTATHIOPHENE CARBOXAMIDE DERIVATIVES AS PLATELET ACTIVATING FACTOR RECEPTOR ANTAGONISTS

description: Small molecule binding data for protein Platelet-activating factor receptor, Uniprot P25105
DOI: 10.7270/q21c2137
title: BindingDB Entry 50006705: Bis-benzoxaboroles: Design, Synthesis, and Biological Evaluation as Carbonic Anhydrase Inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, Carbonic anhydrase 4, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, P22748, and Q16790
DOI: 10.7270/q21c214p
title: BindingDB Entry 50007025: Structural Characterization of Agonist Binding to an A

description: Small molecule binding data for protein Adenosine receptor A3, Uniprot P0DMS8
DOI: 10.7270/q21c2154
title: BindingDB Entry 50007294: Discovery of new quinazoline derivatives as irreversible dual EGFR/HER2 inhibitors and their anticancer activities - Part 1.

description: Small molecule binding data for protein Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2, Uniprot P00533 and P04626
DOI: 10.7270/q21c216k
title: BindingDB Entry 50007645: Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human β-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor.

description: Small molecule binding data for protein Dual specificity tyrosine-phosphorylation-regulated kinase 1A, Uniprot Q13627
DOI: 10.7270/q21c2171
title: BindingDB Entry 50008248: Synthesis, biological evaluation and molecular modeling of novel selective COX-2 inhibitors: sulfide, sulfoxide, and sulfone derivatives of 1,5-diarylpyrrol-3-substituted scaffold.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2, Uniprot P22437 and Q05769
DOI: 10.7270/q21c218g
title: BindingDB Entry 50008890: Pyridazinone-substituted benzenesulfonamides display potent inhibition of membrane-bound human carbonic anhydrase IX and promising antiproliferative activity against cancer cell lines.

description: Small molecule binding data for protein Carbonic anhydrase 1, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q21c219x
title: BindingDB Entry 50009513: Discovery of Axelopran (TD-1211): A Peripherally Restricted μ-Opioid Receptor Antagonist.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41144
DOI: 10.7270/q21c21bc
title: BindingDB Entry 50010120: Novel Lysine-Based Thioureas as Mechanism-Based Inhibitors of Sirtuin 2 (SIRT2) with Anticancer Activity in a Colorectal Cancer Murine Model.

description: Small molecule binding data for protein NAD-dependent protein deacetylase sirtuin-1, NAD-dependent protein deacetylase sirtuin-2, and NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Uniprot Q8IXJ6, Q96EB6, and Q9NTG7
DOI: 10.7270/q21c21ct
title: BindingDB Entry 50010417: Optimizing Pyrazolopyrimidine Inhibitors of Calcium Dependent Protein Kinase 1 for Treatment of Acute and Chronic Toxoplasmosis.

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 Proto-oncogene tyrosine-protein kinase Src, Uniprot P05177, P08684, P10635, P11712, P12931, P33261, and P40989
DOI: 10.7270/q21c21d8
title: BindingDB Entry 50010689: Discovery of a novel unsymmetrical structural class of HCV NS5A inhibitors with low picomolar antiviral activity.

description: Small molecule binding data for protein Nonstructural protein 5A, Uniprot Q5L478
DOI: 10.7270/q21c21fq
title: BindingDB Entry 50011041: Designing Dihydrofolate Reductase Inhibitors as X-ray Radiosensitizers to Reverse Radioresistance of Cervical Cancer.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374
DOI: 10.7270/q21c21g5
title: BindingDB Entry 50011655: Design and Synthesis of Fragment Derivatives with a Unique Inhibition Mechanism of the uPAR·uPA Interaction.

description: Small molecule binding data for protein Urokinase plasminogen activator surface receptor, Uniprot Q03405
DOI: 10.7270/q21c21hm
title: BindingDB Entry 50012280: New indolylarylsulfone non-nucleoside reverse transcriptase inhibitors show low nanomolar inhibition of single and double HIV-1 mutant strains.

description: Small molecule binding data for protein Reverse transcriptase/RNaseH, Uniprot Q72547
DOI: 10.7270/q21c21j2
title: BindingDB Entry 50012912: Targeted Detection of Cyclooxygenase-1 in Ovarian Cancer.

description: Small molecule binding data for protein Prostaglandin G/H synthase 1 and Prostaglandin G/H synthase 2, Uniprot P05979, P23219, and Q05769
DOI: 10.7270/q21c21kh
title: BindingDB Entry 50013261: Inhibition of striatal-enriched protein tyrosine phosphatase by targeting computationally revealed cryptic pockets.

description: Small molecule binding data for protein Dual specificity protein phosphatase 3, Protein phosphatase 1B, Protein phosphatase 1G, Receptor-type tyrosine-protein phosphatase O, Tyrosine-protein phosphatase non-receptor type 1, Tyrosine-protein phosphatase non-receptor type 22, Tyrosine-protein phosphatase non-receptor type 5, and Tyrosine-protein phosphatase non-receptor type 7, Uniprot O15355, O75688, P18031, P35236, P51452, P54829, Q16827, and Q9Y2R2
DOI: 10.7270/q21c21mz
title: BindingDB Entry 50013551: Discovery of novel 2-phenylamino-4-prolylpyrimidine derivatives as TRK/ALK dual inhibitors with promising antitumor effects.

description: Small molecule binding data for protein ALK tyrosine kinase receptor and High affinity nerve growth factor receptor, Uniprot P04629 and Q9UM73
DOI: 10.7270/q21c21nd
title: BindingDB Entry 50013906: Dipyridyl-substituted thiosemicarbazone as a potent broad-spectrum inhibitor of metallo-β-lactamases.

description: Small molecule binding data for protein Metallo-beta-lactamase type 2, Uniprot C7C422
DOI: 10.7270/q21c21pv
title: BindingDB Entry 50014216: DNA-Encoded Library Hit Confirmation: Bridging the Gap Between On-DNA and Off-DNA Chemistry.

description: Small molecule binding data for protein Epidermal growth factor receptor, Receptor-interacting serine/threonine-protein kinase 2, TGF-beta receptor type-1, and Vascular endothelial growth factor receptor 2, Uniprot O43353, P00533, P35968, and P36897
DOI: 10.7270/q21c21q9
title: BindingDB Entry 50014567: Discovery of Investigational Drug CT1812, an Antagonist of the Sigma-2 Receptor Complex for Alzheimer's Disease.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and Sigma intracellular receptor 2, Uniprot P40989 and Q5BJF2
DOI: 10.7270/q21g0q9g
title: BindingDB Entry 9394: TYK2 inhibitors and uses thereof

description: Small molecule binding data for protein Non-receptor tyrosine-protein kinase TYK2 and Tyrosine-protein kinase JAK2, Uniprot O60674 and P29597
DOI: 10.7270/q21g0qbx
title: BindingDB Entry 9603: Substituted imidazo[1,2-B]pyridazines as protein kinase inhibitors

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2 and Serine/threonine-protein kinase pim-1, Uniprot P11309 and Q12809
DOI: 10.7270/q21g0qcc
title: BindingDB Entry 9781: Compounds inhibiting leucine-rich repeat kinase enzyme activity

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527,G2019S], Uniprot Q5S007
DOI: 10.7270/q21g0qdt
title: BindingDB Entry 9990: Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q21g0qf8
title: BindingDB Entry 10168: Pyrimidine compounds and pyrimido indole compounds and methods of use

description: Small molecule binding data for protein Dihydrofolate reductase, Epidermal growth factor receptor, Platelet-derived growth factor receptor beta, Vascular endothelial growth factor receptor 1, and Vascular endothelial growth factor receptor 2, Uniprot P00374, P00533, P09619, P17948, P35968, and Q9UUP5
DOI: 10.7270/q21g0qgq
title: BindingDB Entry 10377: Compositions and methods for treating parasitic diseases

description: Small molecule binding data for protein CAM kinase, CDPK family TgCDPK1 and Proto-oncogene tyrosine-protein kinase Src, Uniprot A0A0F7UUA6 and P12931
DOI: 10.7270/q21g0qh5
title: BindingDB Entry 10764: Compounds useful as immunomodulators

description: Small molecule binding data for protein Programmed cell death 1 ligand/protein 1, Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q21g0qjm
title: BindingDB Entry 50006980: A potent seven-membered cyclic BTK (Bruton's tyrosine Kinase) chiral inhibitor conceived by structure-based drug design to lock its bioactive conformation.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q21g0qk2
title: BindingDB Entry 50007592: Cathepsin B: Active site mapping with peptidic substrates and inhibitors.

description: Small molecule binding data for protein Cathepsin B, Uniprot P07858
DOI: 10.7270/q21g0qmh
title: BindingDB Entry 50007916: Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Beta-hexosaminidase subunit beta, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, Nuclear receptor subfamily 1 group I member 2, Protein O-GlcNAcase, Sodium channel protein type 5 subunit alpha, and Voltage-dependent L-type calcium channel subunit alpha-1C, Uniprot O60502, O75469, P07686, P08684, P10635, P11712, P40989, Q13936, Q14524, and Q8VIJ5
DOI: 10.7270/q21g0qnz
title: BindingDB Entry 50008193: Discovery of Clinical Candidate (1

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, and Indoleamine 2,3-dioxygenase 1, Uniprot P05177, P08684, P10632, P10635, P11712, P14902, P20813, P33261, and P40989
DOI: 10.7270/q21g0qpd
title: BindingDB Entry 50008514: Discovery of Novel Dual Poly(ADP-ribose)polymerase and Phosphoinositide 3-Kinase Inhibitors as a Promising Strategy for Cancer Therapy.

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Poly [ADP-ribose] polymerase 1, and Poly [ADP-ribose] polymerase 2, Uniprot O00329, P09874, P42336, P42338, P48736, and Q9UGN5
DOI: 10.7270/q21g0qqv
title: BindingDB Entry 50009171: Sodium Channel Modulators and Their Method of Use.

description: Small molecule binding data for protein Sodium channel protein type 9 subunit alpha, Uniprot Q15858
DOI: 10.7270/q21g0qr9
title: BindingDB Entry 50009800: Challenges and Perspectives on the Development of Small-Molecule EGFR Inhibitors against T790M-Mediated Resistance in Non-Small-Cell Lung Cancer.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q21g0qsr
title: BindingDB Entry 50010371: Dual Binding to Orthosteric and Allosteric Sites Enhances the Anticancer Activity of a TRAP1-Targeting Drug.

description: Small molecule binding data for protein Heat shock protein 75 kDa, mitochondrial, Uniprot Q12931
DOI: 10.7270/q21g0qt6
title: BindingDB Entry 50010986: The discovery of azetidine-piperazine di-amides as potent, selective and reversible monoacylglycerol lipase (MAGL) inhibitors.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, Fatty-acid amide hydrolase 1, and Monoglyceride lipase, Uniprot O00519, P21554, P34972, and Q99685
DOI: 10.7270/q21g0qvn
title: BindingDB Entry 50011323: Development of SKI-349, a dual-targeted inhibitor of sphingosine kinase and microtubule polymerization.

description: Small molecule binding data for protein Sphingosine kinase 1, Sphingosine kinase 2, and Tubulin beta-3 chain, Uniprot Q13509, Q9NRA0, and Q9NYA1
DOI: 10.7270/q21g0qw3
title: BindingDB Entry 50011613: Identification of 2-substituted pyrrolo[1,2-b]pyridazine derivatives as new PARP-1 inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Poly [ADP-ribose] polymerase 1, and Poly [ADP-ribose] polymerase 2, Uniprot P09874, P40989, and Q9UGN5
DOI: 10.7270/q21g0qxj
title: BindingDB Entry 50011968: Novel Bicyclic Heterocycles as FGFR Inhibitors for Treating Cancer.

description: Small molecule binding data for protein Fibroblast growth factor receptor 3, Uniprot P22607
DOI: 10.7270/q21g0qz0
title: BindingDB Entry 50012579: New Inhibitors of Indoleamine 2,3-Dioxygenase 1: Molecular Modeling Studies, Synthesis, and Biological Evaluation.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q21g0r0v
title: BindingDB Entry 50013211: Systematic evaluation of structure-property relationships and pharmacokinetics in 6-(hetero)aryl-substituted matched pair analogs of amiloride and 5-(N,N-hexamethylene)amiloride.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2 and Sodium channel protein type 5 subunit alpha, Uniprot P40989 and Q14524
DOI: 10.7270/q21g0r19
title: BindingDB Entry 50013850: 4-Oxoquinolines and monoamine oxidase: When tautomerism matters.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q21g0r2r
title: BindingDB Entry 50014505: Discovery of Orally Bioavailable Purine-Based Inhibitors of the Low-Molecular-Weight Protein Tyrosine Phosphatase.

description: Small molecule binding data for protein Low molecular weight phosphotyrosine protein phosphatase, Uniprot P24666