cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2862m9d
title: BindingDB Entry 50014465: 3

description: Small molecule binding data for protein Cyclin-A1/Cyclin-dependent kinase 2, Cyclin-A2/Cyclin-dependent kinase 2, Cyclin-T1/Cyclin-dependent kinase 9, Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Cyclin-dependent kinase 4/G1/S-specific cyclin-D1, Cyclin-dependent kinase/G2/mitotic-specific cyclin- 1, and Receptor-type tyrosine-protein kinase FLT3, Uniprot O60563, P06493, P11802, P14635, P20248, P24385, P24864, P24941, P36888, P50750, and P78396
DOI: 10.7270/q28918x0
title: BindingDB Entry 9338: Substituted [5,6]cyclic-4(3H)-pyrimidinones as anticancer agents

description: Small molecule binding data for protein Cell division cycle 7-related protein kinase/Protein DBF4 homolog A, Uniprot O00311 and Q9UBU7
DOI: 10.7270/q28918zf
title: BindingDB Entry 9725: Oxadiazaspiro compounds for the treatment of drug abuse and addiction

description: Small molecule binding data for protein AP-4 complex subunit sigma-1, Uniprot Q9Y587
DOI: 10.7270/q2891909
title: BindingDB Entry 9934: Cyclic dinucleotides as sting agonists

description: Small molecule binding data for protein Stimulator of interferon genes protein [138-378] and Stimulator of interferon genes protein [139-379,H232R], Uniprot Q3TBT3 and Q86WV6
DOI: 10.7270/q289191r
title: BindingDB Entry 10112: Indoleamine-2,3-dioxygenase inhibitor and preparation method therefor

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2891926
title: BindingDB Entry 10321: 6-heterocyclyl-4-morpholin-4-ylpyridine-2-one compounds useful for the treatment of cancer and diabetes

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase catalytic subunit type 3, Uniprot Q8NEB9
DOI: 10.7270/q289193n
title: BindingDB Entry 10708: Arginase inhibitors as therapeutics

description: Small molecule binding data for protein Arginase-1 and Arginase-2, mitochondrial, Uniprot P05089 and P78540
DOI: 10.7270/q2891943
title: BindingDB Entry 50006890: Discovery of novel, potent, isosteviol-based antithrombotic agents.

description: Small molecule binding data for protein Chymotrypsinogen B2, Coagulation factor IX, Coagulation factor VII, Coagulation factor X, Coagulation factor XI, Coagulation factor XII, Plasma kallikrein, Serine protease 1/Trypsin-2/Trypsin-3, Tissue-type plasminogen activator, and Urokinase-type plasminogen activator, Uniprot P00740, P00742, P00748, P00749, P00750, P03951, P03952, P07477, P07478, P08709, P35030, and Q6GPI1
DOI: 10.7270/q289195j
title: BindingDB Entry 50007500: Discovering New Casein Kinase 1d Inhibitors with an Innovative Molecular Dynamics Enabled Virtual Screening Workflow.

description: Small molecule binding data for protein Casein kinase I isoform delta, Uniprot P48730
DOI: 10.7270/q2891960
title: BindingDB Entry 50008109: Synthesis, evaluation and structural investigations of potent purple acid phosphatase inhibitors as drug leads for osteoporosis.

description: Small molecule binding data for protein Fe(3+)-Zn(2+) purple acid phosphatase, Uniprot P80366
DOI: 10.7270/q289197f
title: BindingDB Entry 50008423: Coumarin-containing hybrids and their anticancer activities.

description: Small molecule binding data for protein RAC-alpha serine/threonine-protein kinase and Vascular endothelial growth factor receptor 2, Uniprot P31749 and P35968
DOI: 10.7270/q289198w
title: BindingDB Entry 50008748: Styryl quinazolinones and its ethynyl derivatives induce myeloid differentiation.

description: Small molecule binding data for protein DNA repair protein RAD51 homolog 1 and Similar to alpha-tubulin isoform 1, Uniprot Q06609 and Q862L2
DOI: 10.7270/q289199b
title: BindingDB Entry 50009078: Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia.

description: Small molecule binding data for protein Histone-arginine methyltransferase CARM1, Protein arginine N-methyltransferase 1, Protein arginine N-methyltransferase 3, Protein arginine N-methyltransferase 5, Protein arginine N-methyltransferase 6, Protein arginine N-methyltransferase 7, and Protein arginine N-methyltransferase 8, Uniprot O14744, O60678, Q86X55, Q96LA8, Q99873, Q9NR22, and Q9NVM4
DOI: 10.7270/q28919bs
title: BindingDB Entry 50009706: Synthesis and evaluation of clioquinol-rolipram/roflumilast hybrids as multitarget-directed ligands for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q08499
DOI: 10.7270/q28919c7
title: BindingDB Entry 50010284: SGC-GAK-1: A Chemical Probe for Cyclin G Associated Kinase (GAK).

description: Small molecule binding data for protein AP2-associated protein kinase 1, Atypical kinase COQ8A, mitochondrial, BMP-2-inducible protein kinase, Cyclin-G-associated kinase, Interleukin-1 receptor-associated kinase 3, Receptor-interacting serine/threonine-protein kinase 2, Serine/threonine-protein kinase 16, and Serine/threonine-protein kinase NLK, Uniprot O14976, O43353, O75716, Q2M2I8, Q8NI60, Q9NSY1, Q9UBE8, and Q9Y616
DOI: 10.7270/q28919dp
title: BindingDB Entry 50010896: Structural Analysis of VDR Complex with ZK168281 Antagonist.

description: Small molecule binding data for protein Vitamin D3 receptor A, Uniprot Q9PTN2
DOI: 10.7270/q28919f4
title: BindingDB Entry 50011527: Kojyl cinnamate esters are peroxisome proliferator-activated receptor α/γ dual agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha and Peroxisome proliferator-activated receptor gamma, Uniprot P37231 and Q07869
DOI: 10.7270/q28919gk
title: BindingDB Entry 50011856: N-benzyl 4,4-disubstituted piperidines as a potent class of influenza H1N1 virus inhibitors showing a novel mechanism of hemagglutinin fusion peptide interaction.

description: Small molecule binding data for protein Hemagglutinin, Uniprot P03452
DOI: 10.7270/q28919h1
title: BindingDB Entry 50012147: Novel deoxyvasicinone and tetrahydro-beta-carboline hybrids as inhibitors of acetylcholinesterase and amyloid beta aggregation.

description: Small molecule binding data for protein Acetylcholinesterase, Amyloid-beta precursor protein, and Cholinesterase, Uniprot P05067, P06276, and P22303
DOI: 10.7270/q28919jg
title: BindingDB Entry 50012482: Discovery of Potent, Selective Triazolothiadiazole-Containing c-Met Inhibitors.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Proto-oncogene tyrosine-protein kinase Src, Receptor-type tyrosine-protein kinase FLT3, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase receptor TYRO3, Vascular endothelial growth factor receptor 2, and cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A, Uniprot O60674, P08581, P12931, P35968, P36888, Q06418, and Q14432
DOI: 10.7270/q28919kx
title: BindingDB Entry 50013129: Bicyclic Ligand-Biased Agonists of S1P

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor 1, Sphingosine 1-phosphate receptor 3, Sphingosine 1-phosphate receptor 4, and Sphingosine 1-phosphate receptor 5, Uniprot O95977, P21453, Q99500, and Q9H228
DOI: 10.7270/q28919mc
title: BindingDB Entry 50013768: Design, synthesis, and structure-activity relationship of programmed cell death-1/programmed cell death-ligand 1 interaction inhibitors bearing a benzo[d]isothiazole scaffold.

description: Small molecule binding data for protein Programmed cell death 1 ligand/protein 1, Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q28919nt
title: BindingDB Entry 50014415: Projected Dose Optimization of Amino- and Hydroxypyrrolidine Purine PI3Kδ Immunomodulators.

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, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Sodium channel protein type 5 subunit alpha, and Voltage-dependent L-type calcium channel subunit alpha-1C, Uniprot O00329, O35904, P05177, P08684, P10632, P10635, P11712, P20813, P27986, P33261, P40989, Q13936, and Q14524
DOI: 10.7270/q28d0098
title: BindingDB Entry 9129: Amino compounds for treatment of medical disorders

description: Small molecule binding data for protein Complement factor D, Uniprot P00746
DOI: 10.7270/q28d00bq
title: BindingDB Entry 9516: N-(phenylsulfonyl)benzamides and related compounds as bcl-2 inhibitors

description: Small molecule binding data for protein BH3-interacting domain death agonist [79-99], Bcl-2-like protein 11 [72-87], and Bcl-2-like protein 11 [81-106], Uniprot O43521 and P55957
DOI: 10.7270/q28d00c5
title: BindingDB Entry 9903: Quinazolinones as PARP14 inhibitors

description: Small molecule binding data for protein Protein mono-ADP-ribosyltransferase PARP14, Uniprot Q460N5
DOI: 10.7270/q28d00dm
title: BindingDB Entry 10290: 4-oxo-3,4-dihydro-1,2,3-benzotriazine modulators of GPR139

description: Small molecule binding data for protein Probable G-protein coupled receptor 139, Uniprot Q6DWJ6
DOI: 10.7270/q28d00f2
title: BindingDB Entry 10499: Class of amino-substituted nitrogen-containing fused ring compounds, preparation method therefor, and use thereof

description: Small molecule binding data for protein Fibroblast growth factor receptor 1 and Fibroblast growth factor receptor 4, Uniprot P11362 and P22455
DOI: 10.7270/q28d00gh
title: BindingDB Entry 10677: Pharmaceutical composition for preventing or treating acute myeloid leukemia or metastatic breast cancer

description: Small molecule binding data for protein Receptor-type tyrosine-protein kinase FLT3, Uniprot P36888
DOI: 10.7270/q28d00hz
title: BindingDB Entry 10886: ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION

description: Small molecule binding data for protein External core antigen and Large envelope protein, Uniprot P03138 and P89951
DOI: 10.7270/q28d00jd
title: BindingDB Entry 50006849: Optimizing the Pharmacological Profile of New Bifunctional Antihyperlipidemic/Antioxidant Morpholine Derivatives.

description: Small molecule binding data for protein Squalene synthase, Uniprot Q02769
DOI: 10.7270/q28d00kv
title: BindingDB Entry 50007164: Design, synthesis and antitubercular activity of 4-alkoxy-triazoloquinolones able to inhibit the M. tuberculosis DNA gyrase.

description: Small molecule binding data for protein DNA gyrase subunit B, Uniprot P9WG45
DOI: 10.7270/q28d00m9
title: BindingDB Entry 50007778: Synthesis and evaluation of tetrahydropyrazolopyridine inhibitors of anion exchange protein SLC26A4 (pendrin).

description: Small molecule binding data for protein Pendrin, Uniprot O43511 and Q9R155
DOI: 10.7270/q28d00nr
title: BindingDB Entry 50008378: α-Amino Diphenyl Phosphonates as Novel Inhibitors of Escherichia coli ClpP Protease.

description: Small molecule binding data for protein ATP-dependent Clp protease proteolytic subunit, Uniprot P0A6G7
DOI: 10.7270/q28d00p6
title: BindingDB Entry 50009028: SAR study of celastrol analogs targeting Nur77-mediated inflammatory pathway.

description: Small molecule binding data for protein Nuclear receptor subfamily 4 group A member 1, Uniprot P22736
DOI: 10.7270/q28d00qn
title: BindingDB Entry 50009368: Discovery, Optimization, and Characterization of ML417: A Novel and Highly Selective D

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, 5-hydroxytryptamine receptor 1D, 5-hydroxytryptamine receptor 1E, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2B, 5-hydroxytryptamine receptor 3A, 5-hydroxytryptamine receptor 5A, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, Alpha-1A adrenergic receptor, Alpha-1B adrenergic receptor, Alpha-1D adrenergic receptor, Alpha-2A adrenergic receptor, Alpha-2B adrenergic receptor, Alpha-2C adrenergic receptor, Beta-1 adrenergic receptor, Beta-2 adrenergic receptor, Beta-3 adrenergic receptor, D(1A) dopamine receptor, D(1B) dopamine receptor, D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, Delta-type opioid receptor, Histamine H1 receptor, Histamine H2 receptor, Histamine H3 receptor, Histamine H4 receptor, Kappa-type opioid receptor, Mu-type opioid receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M4, Muscarinic acetylcholine receptor M5, Sigma intracellular receptor 2, Sigma non-opioid intracellular receptor 1, Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P07550, P08172, P08173, P08588, P08908, P08912, P08913, P11229, P13945, P14416, P18089, P18825, P20309, P21728, P21917, P21918, P23975, P25021, P25100, P28221, P28222, P28223, P28566, P31645, P34969, P35348, P35367, P35368, P35372, P35462, P41143, P41145, P41595, P46098, P47898, P50406, Q01959, Q5BJF2, Q99720, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q28d00r3
title: BindingDB Entry 50009656: Synthesis and Pharmacological Evaluation of 1-Phenyl-3-Thiophenylurea Derivatives as Cannabinoid Type-1 Receptor Allosteric Modulators.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554, P34972, and P47746
DOI: 10.7270/q28d00sj
title: BindingDB Entry 50009985: Human 15-LOX-1 active site mutations alter inhibitor binding and decrease potency.

description: Small molecule binding data for protein Polyunsaturated fatty acid lipoxygenase ALOX15, Uniprot P16050
DOI: 10.7270/q28d00t0
title: BindingDB Entry 50010546: Novel Autotaxin Inhibitor for the Treatment of Idiopathic Pulmonary Fibrosis: A Clinical Candidate Discovered Using DNA-Encoded Chemistry.

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, Ectonucleotide pyrophosphatase/phosphodiesterase family member 1, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Lysophosphatidic acid receptor 1, Lysophosphatidic acid receptor 2, and Lysophosphatidic acid receptor 3, Uniprot P05177, P08684, P10635, P11712, P22413, P33261, P40989, Q13822, Q92633, Q9HBW0, Q9R1E6, and Q9UBY5
DOI: 10.7270/q28d00vf
title: BindingDB Entry 50011175: Decades-old renin inhibitors are still struggling to find a niche in antihypertensive therapy. A fleeting look at the old and the promising new molecules.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q28d00ww
title: BindingDB Entry 50011804: Structurally novel PI3Kδ/γ dual inhibitors characterized by a seven-membered spirocyclic spacer: The SARs investigation and PK evaluation.

description: Small molecule binding data for protein 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 3-kinase regulatory subunit beta/4,5-bisphosphate 3-kinase catalytic subunit beta isoform, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, Uniprot O00329, O00459, P27986, P42336, P42338, and P48736
DOI: 10.7270/q28d00xb
title: BindingDB Entry 50012423: Structural modifications on indole and pyrimidine rings of osimertinib lead to high selectivity towards L858R/T790M double mutant enzyme and potent antitumor activity.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q28d00zs
title: BindingDB Entry 50012766: Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment of Multidrug-Resistant Tuberculosis.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A4, Uniprot P05177, P08684, P10635, P11712, P21397, P27338, P33261, and P40989
DOI: 10.7270/q28d010n
title: BindingDB Entry 50013058: Development of Indoleamine 2,3-Dioxygenase 1 Inhibitors for Cancer Therapy and Beyond: A Recent Perspective.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Indoleamine 2,3-dioxygenase 2, and Tryptophan 2,3-dioxygenase, Uniprot P14902, P28776, P48775, and Q6ZQW0
DOI: 10.7270/q28d0113
title: BindingDB Entry 50013422: The components and activities analysis of a novel anticoagulant candidate dHG-5.

description: Small molecule binding data for protein Coagulation factor IX/VIII, Uniprot P00451 and P00740
DOI: 10.7270/q28d012j
title: BindingDB Entry 50014056: Structurally Optimized Potent Dual-Targeting NBTI Antibacterials with an Enhanced Bifurcated Halogen-Bonding Propensity.

description: Small molecule binding data for protein DNA gyrase subunit A/B and DNA topoisomerase 4 subunit A/B, Uniprot P0A0K8, P0C1U9, P20831, and Q2FYS5
DOI: 10.7270/q28d0130
title: BindingDB Entry 50014715: Enhanced Properties of a Benzimidazole Benzylpyrazole Lysine Demethylase Inhibitor: Mechanism-of-Action, Binding Site Analysis, and Activity in Cellular Models of Prostate Cancer.

description: Small molecule binding data for protein Lysine-specific demethylase 4E, Uniprot B2RXH2
DOI: 10.7270/q28g8pqn
title: BindingDB Entry 9098: Epoxyketone compounds for enzyme inhibition

description: Small molecule binding data for protein Chymotrypsin-like protease CTRL-1, Proteasome subunit beta type-1, and Transmembrane protease serine 11D, Uniprot O60235, P20618, and P40313
DOI: 10.7270/q28g8pr3
title: BindingDB Entry 9307: Pyrazolopyrimidinone compounds and uses thereof

description: Small molecule binding data for protein Cyclic GMP-AMP synthase [155-522], Uniprot Q8N884
DOI: 10.7270/q28g8psj
title: BindingDB Entry 9485: Substituted-6,8-dioxabicyclo[3.2.1]octane-2,3-diol compounds as targeting agents of ASGPR

description: Small molecule binding data for protein Asialoglycoprotein receptor 1, Uniprot P07306
DOI: 10.7270/q28g8pt0
title: BindingDB Entry 9694: Azetidine derivatives

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 and Fatty-acid amide hydrolase 1 [30-579], Uniprot O00519 and P97612
DOI: 10.7270/q28g8pvf
title: BindingDB Entry 10081: Hydantoins that modulate BACE-mediated app processing

description: Small molecule binding data for protein Amyloid-beta precursor protein, Uniprot P05067
DOI: 10.7270/q28g8pww
title: BindingDB Entry 10468: Pyrimidine derivative having effect of inhibiting cancer cell growth and pharmaceutical composition containing same

description: Small molecule binding data for protein Epidermal growth factor receptor [1-18,20-1210,C797S], Epidermal growth factor receptor [1-18,20-1210,T790M,C797S], and Hepatocyte growth factor receptor, Uniprot P00533 and P08581
DOI: 10.7270/q28g8pxb
title: BindingDB Entry 10855: Broad spectrum inhibitors of filoviruses

description: Small molecule binding data for protein Envelope glycoprotein, Uniprot P87666 and Q89853
DOI: 10.7270/q28g8pzs
title: BindingDB Entry 50007119: Identification of Reversible Small Molecule Inhibitors of Endothelial Lipase (EL) That Demonstrate HDL-C Increase In Vivo.

description: Small molecule binding data for protein Endothelial lipase and Hepatic triacylglycerol lipase, Uniprot P11150, Q9WVG5, and Q9Y5X9
DOI: 10.7270/q28g8q0n
title: BindingDB Entry 50007452: Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.

description: Small molecule binding data for protein Isocitrate dehydrogenase [NADP] cytoplasmic and Isocitrate dehydrogenase [NADP], mitochondrial, Uniprot O75874 and P48735
DOI: 10.7270/q28g8q13
title: BindingDB Entry 50007730: Discovery of novel mutant-combating ALK and ROS1 dual inhibitors bearing imidazolidin-2-one moiety with reasonable PK properties.

description: Small molecule binding data for protein ALK tyrosine kinase receptor, Cyclin-dependent kinase 4, Epidermal growth factor receptor, Fibroblast growth factor receptor 1/2/3/4, Hepatocyte growth factor receptor, Insulin-like growth factor 1 receptor, Proto-oncogene tyrosine-protein kinase ROS, Proto-oncogene tyrosine-protein kinase receptor Ret, Tyrosine-protein kinase BTK, and Tyrosine-protein kinase JAK2, Uniprot O60674, P00533, P07949, P08069, P08581, P08922, P11362, P11802, P21802, P22455, P22607, Q06187, and Q9UM73
DOI: 10.7270/q28g8q2j
title: BindingDB Entry 50008058: Design, synthesis, and antifibrosis evaluation of 4-(benzo-[c][1,2,5]thiadiazol-5-yl)-3(5)-(6-methyl- pyridin-2-yl)pyrazole and 3(5)-(6-methylpyridin- 2-yl)-4-(thieno-[3,2,-c]pyridin-2-yl)pyrazole derivatives.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14 and TGF-beta receptor type-1, Uniprot P36897 and Q16539
DOI: 10.7270/q28g8q30
title: BindingDB Entry 50008690: Aminopyrazole Carboxamide Bruton's Tyrosine Kinase Inhibitors. Irreversible to Reversible Covalent Reactive Group Tuning.

description: Small molecule binding data for protein Epidermal growth factor receptor, Proto-oncogene tyrosine-protein kinase Src, and Tyrosine-protein kinase BTK, Uniprot P00533, P12931, and Q06187
DOI: 10.7270/q28g8q4f
title: BindingDB Entry 50009325: Discovery and Optimization of Novel Pyrazolopyrimidines as Potent and Orally Bioavailable Allosteric HIV-1 Integrase Inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot Q76353
DOI: 10.7270/q28g8q5w
title: BindingDB Entry 50009938: Fulvestrant-3 Boronic Acid (ZB716): An Orally Bioavailable Selective Estrogen Receptor Downregulator (SERD).

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372
DOI: 10.7270/q28g8q6b
title: BindingDB Entry 50010239: Ca-asp bound X-ray structure and inhibition of Bacillus anthracis dihydroorotase (DHOase).

description: Small molecule binding data for protein Dihydroorotase, Uniprot Q81WF0
DOI: 10.7270/q28g8q7s
title: BindingDB Entry 50010500: Benzopyrimidodiazepinone inhibitors of TNK2.

description: Small molecule binding data for protein Activated CDC42 kinase 1, Uniprot Q07912
DOI: 10.7270/q28g8q87
title: BindingDB Entry 50010844: Synthesis and evaluation of 7-azaindole derivatives bearing benzocycloalkanone motifs as protein kinase inhibitors.

description: Small molecule binding data for protein Cyclin-T1/Cyclin-dependent kinase 9 and Serine/threonine-protein kinase haspin, Uniprot O60563, P50750, and Q8TF76
DOI: 10.7270/q28g8q9p
title: BindingDB Entry 50011127: Design, synthesis and anticancer activities of novel dual poly(ADP-ribose) polymerase-1/histone deacetylase-1 inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1 and Poly [ADP-ribose] polymerase 1, Uniprot P09874 and Q13547
DOI: 10.7270/q28g8qb4
title: BindingDB Entry 50011472: Discovery of CA-4948, an Orally Bioavailable IRAK4 Inhibitor for Treatment of Hematologic Malignancies.

description: Small molecule binding data for protein Cytochrome P450 2C19 and Interleukin-1 receptor-associated kinase 4, Uniprot P33261 and Q9NWZ3
DOI: 10.7270/q28g8qck
title: BindingDB Entry 50012100: Biological Evaluation of Selected Flavonoids as Inhibitors of MNKs Targeting Acute Myeloid Leukemia.

description: Small molecule binding data for protein MAP kinase-interacting serine/threonine-protein kinase 1 and MAP kinase-interacting serine/threonine-protein kinase 2, Uniprot Q9BUB5 and Q9HBH9
DOI: 10.7270/q28g8qd1
title: BindingDB Entry 50012716: Identification of Potent Reverse Indazole Inhibitors for HPK1.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 1, Uniprot Q92918