cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2d79g8j
title: BindingDB Entry 50014659: Design, synthesis and biological evaluation of 3, 4-disubstituted-imidazolidine-2, 5-dione derivatives as HDAC6 selective 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, and Polyamine deacetylase HDAC10, Uniprot O15379, P56524, Q13547, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2db84xk
title: BindingDB Entry 9275: Diaminopyrimidine benzenesulfone derivatives and uses thereof

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2db84z1
title: BindingDB Entry 9662: PD-1/PD-L1 inhibitors

description: Small molecule binding data for protein Programmed cell death 1 ligand 1/2, Uniprot Q9BQ51 and Q9NZQ7
DOI: 10.7270/q2db850w
title: BindingDB Entry 10049: Quinolone derivatives as fibroblast growth factor receptor inhibitors

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Uniprot P11362
DOI: 10.7270/q2db851b
title: BindingDB Entry 10258: 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof

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/q2db852s
title: BindingDB Entry 10436: Substituted pyrrolopyridines as ATR inhibitors

description: Small molecule binding data for protein Serine/threonine-protein kinase ATR, Uniprot G1SGC5
DOI: 10.7270/q2db8537
title: BindingDB Entry 10645: Phenoxymethyl derivatives

description: Small molecule binding data for protein Ataxin-1, Uniprot P54253
DOI: 10.7270/q2db854p
title: BindingDB Entry 50006801: Synthesis, in vitro and in vivo evaluation of 2-aryl-4H-chromene and 3-aryl-1H-benzo[f]chromene derivatives as novel α-glucosidase inhibitors.

description: Small molecule binding data for protein Probable maltase-glucoamylase 2, Uniprot Q2M2H8
DOI: 10.7270/q2db8554
title: BindingDB Entry 50007397: Glycocluster Tetrahydroxamic Acids Exhibiting Unprecedented Inhibition of

description: Small molecule binding data for protein Fucose-binding lectin PA-IIL, Uniprot Q9HYN5
DOI: 10.7270/q2db856k
title: BindingDB Entry 50008008: A Selective Modulator of Peroxisome Proliferator-Activated Receptor γ with an Unprecedented Binding Mode.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, and Peroxisome proliferator-activated receptor gamma, Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q2db8571
title: BindingDB Entry 50008626: Benzofuran derivatives and their anti-tubercular, anti-bacterial activities.

description: Small molecule binding data for protein Polyketide synthase Pks13, TYR_PHOSPHATASE_2 domain-containing protein, Tyrosine-protein phosphatase non-receptor type 1, and Tyrosine-protein phosphatase non-receptor type 2, Uniprot I6X8D2, P17706, P18031, and P96830
DOI: 10.7270/q2db858g
title: BindingDB Entry 50008984: Synthesis and Anti-HCV Activities of 4'-Fluoro-2'-Substituted Uridine Triphosphates and Nucleotide Prodrugs: Discovery of 4'-Fluoro-2'- C-methyluridine 5'-Phosphoramidate Prodrug (AL-335) for the Treatment of Hepatitis C Infection.

description: Small molecule binding data for protein RNA-directed RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q2db859x
title: BindingDB Entry 50009278: Identification of Novel Resorcinol Amide Derivatives as Potent and Specific Pyruvate Dehydrogenase Kinase (PDHK) Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, 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 P05177, P07900, P08238, P08684, P10635, P11712, P33261, Q15118, Q15119, Q15120, and Q16654
DOI: 10.7270/q2db85bc
title: BindingDB Entry 50009598: Pyrrolomycins as antimicrobial agents. Microwave-assisted organic synthesis and insights into their antimicrobial mechanism of action.

description: Small molecule binding data for protein Sortase family protein, Uniprot Q9S446
DOI: 10.7270/q2db85ct
title: BindingDB Entry 50010201: Indole-2-carboxamide-based MmpL3 Inhibitors Show Exceptional Antitubercular Activity in an Animal Model of Tuberculosis Infection.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GSC2, Uniprot P40989
DOI: 10.7270/q2db85d8
title: BindingDB Entry 50010786: ONO-8430506: A Novel Autotaxin Inhibitor That Enhances the Antitumor Effect of Paclitaxel in a Breast Cancer Model.

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Uniprot Q13822
DOI: 10.7270/q2db85fq
title: BindingDB Entry 50011419: TBA

description: Small molecule binding data for protein Sodium- and chloride-dependent neutral and basic amino acid transporter B(0+) and Solute carrier family 15 member 1, Uniprot P46059 and Q9UN76
DOI: 10.7270/q2db85g5
title: BindingDB Entry 50012053: Structure-based amelioration of PXR transactivation in a novel series of macrocyclic allosteric inhibitors of HIV-1 integrase.

description: Small molecule binding data for protein Nuclear receptor subfamily 1 group I member 2, Uniprot O75469
DOI: 10.7270/q2db85hm
title: BindingDB Entry 50012373: Novel cyanothiouracil and cyanothiocytosine derivatives as concentration-dependent selective inhibitors of U87MG glioblastomas: Adenosine receptor binding and potent PDE4 inhibition.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q2db85j2
title: BindingDB Entry 50012666: A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.

description: Small molecule binding data for protein Aurora kinase B, Calcium/calmodulin-dependent protein kinase kinase 1, Calcium/calmodulin-dependent protein kinase kinase 2, Hepatocyte growth factor receptor, Homeodomain-interacting protein kinase 4, Serine/threonine-protein kinase 17A, Serine/threonine-protein kinase 17B, Serine/threonine-protein kinase 38-like, Serine/threonine-protein kinase Nek6, Serine/threonine-protein kinase pim-2, and Wee1-like protein kinase, Uniprot O94768, P08581, P30291, Q8N5S9, Q8NE63, Q96GD4, Q96RR4, Q9HC98, Q9P1W9, Q9UEE5, and Q9Y2H1
DOI: 10.7270/q2db85kh
title: BindingDB Entry 50013003: Drugging the undruggable: a computational chemist's view of KRAS

description: Small molecule binding data for protein GTPase KRas, Uniprot P01116
DOI: 10.7270/q2db85mz
title: BindingDB Entry 50013675: Curse or Cure? A Perspective on the Developability of Aldehydes as Active Pharmaceutical Ingredients.

description: Small molecule binding data for protein Fibroblast growth factor receptor 4 and Serine/threonine-protein kinase/endoribonuclease IRE1, Uniprot O75460, P22455, and Q9EQY0
DOI: 10.7270/q2db85nd
title: BindingDB Entry 50014301: Benzimidazole-galactosides bind selectively to the Galectin-8 N-Terminal domain: Structure-based design and optimisation.

description: Small molecule binding data for protein Galectin-1, Galectin-2, Galectin-3, Galectin-4, Galectin-7, Galectin-8, and Galectin-9, Uniprot O00182, O00214, P05162, P09382, P17931, P47929, and P56470
DOI: 10.7270/q2df6v7k
title: BindingDB Entry 9066: Heterocyclic compounds as immunomodulators

description: Small molecule binding data for protein Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167], Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q2df6v81
title: BindingDB Entry 9244: Aminopyridine derivatives and their use as selective ALK-2 inhibitors

description: Small molecule binding data for protein Activin receptor type-1 [172-499,R206H], Activin receptor type-1 [172-499], Bone morphogenetic protein receptor type-1A [198-525], Bone morphogenetic protein receptor type-1B, Serine/threonine-protein kinase receptor R3 [166-493], and TGF-beta receptor type-1 [162-503], Uniprot O00238, P36894, P36897, P37023, and Q04771
DOI: 10.7270/q2df6v9g
title: BindingDB Entry 9453: Beta-lactamase inhibitor compounds

description: Small molecule binding data for protein Beta-lactamase and Beta-lactamase TEM, Uniprot P00811, P62593, and Q6XEC0
DOI: 10.7270/q2df6vbx
title: BindingDB Entry 9840: Benzothiophene estrogen receptor modulators

description: Small molecule binding data for protein Estrogen receptor, Uniprot P03372
DOI: 10.7270/q2df6vcc
title: BindingDB Entry 10227: Fused triazole agonists of the APJ receptor

description: Small molecule binding data for protein Apelin receptor, Uniprot P35414
DOI: 10.7270/q2df6vdt
title: BindingDB Entry 10614: Dopamine D3 receptor selective antagonists/partial agonists and uses thereof

description: Small molecule binding data for protein D(2) dopamine receptor, D(3) dopamine receptor, and D(4) dopamine receptor, Uniprot P14416, P21917, and P35462
DOI: 10.7270/q2df6vf8
title: BindingDB Entry 10823: Quinoline analogs as phosphatidylinositol 3-kinase inhibitors

description: Small molecule binding data for protein Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, Uniprot O00329
DOI: 10.7270/q2df6vgq
title: BindingDB Entry 50006753: 3-Amino-chromanes and Tetrahydroquinolines as Selective 5-HT

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 2C, 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, and Sodium-dependent noradrenaline transporter, Uniprot P07550, P08172, P08173, P08588, P08908, P08912, P08913, P11229, P13945, P14416, P18089, P18825, P20309, P21728, P21917, P21918, P23975, P25021, P25100, P28221, P28222, P28223, P28335, P28566, P34969, P35348, P35367, P35368, P35372, P35462, P41143, P41145, P41595, P46098, P47898, P50406, Q01959, Q5BJF2, Q99720, Q9H3N8, and Q9Y5N1
DOI: 10.7270/q2df6vh5
title: BindingDB Entry 50007067: Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 5, Uniprot Q99683
DOI: 10.7270/q2df6vjm
title: BindingDB Entry 50007337: Propolis Components from Stingless Bees Collected on South Sulawesi, Indonesia, and Their Xanthine Oxidase Inhibitory Activity.

description: Small molecule binding data for protein Xanthine dehydrogenase/oxidase, Uniprot P80457
DOI: 10.7270/q2df6vk2
title: BindingDB Entry 50007681: Achieving

description: Small molecule binding data for protein B-cell lymphoma 6 protein, Uniprot P41182
DOI: 10.7270/q2df6vmh
title: BindingDB Entry 50008291: Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor γt (RORγt) Agonist Structure-Based Functionality Switching Approach from In House RORγt Inverse Agonist to RORγt Agonist.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma, Uniprot P51449
DOI: 10.7270/q2df6vnz
title: BindingDB Entry 50008940: Design, synthesis and bioevaluation of 3-oxo-6-aryl-2,3-dihydropyridazine-4-carbohydrazide derivatives as novel xanthine oxidase inhibitors.

description: Small molecule binding data for protein Xanthine dehydrogenase/oxidase, Uniprot P80457
DOI: 10.7270/q2df6vpd
title: BindingDB Entry 50009552: New polyamine drugs as more effective antichagas agents than benznidazole in both the acute and chronic phases.

description: Small molecule binding data for protein Superoxide dismutase [Cu-Zn], Uniprot P00441
DOI: 10.7270/q2df6vqv
title: BindingDB Entry 50009880: Colorectal anticancer activities of polymethoxylated 3-naphthyl-5-phenylpyrazoline-carbothioamides.

description: Small molecule binding data for protein Aurora kinase A and Aurora kinase B, Uniprot O14965 and Q96GD4
DOI: 10.7270/q2df6vr9
title: BindingDB Entry 50010152: Discovery of GlyT2 Inhibitors Using Structure-Based Pharmacophore Screening and Selectivity Studies by FEP+ Calculations.

description: Small molecule binding data for protein Sodium- and chloride-dependent glycine transporter 1 and Sodium- and chloride-dependent glycine transporter 2, Uniprot P48067 and Q9Y345
DOI: 10.7270/q2df6vsr
title: BindingDB Entry 50010452: A Novel Agonist of the Type 1 Lysophosphatidic Acid Receptor (LPA

description: Small molecule binding data for protein Lysophosphatidic acid receptor 1 and Lysophosphatidic acid receptor 2, Uniprot Q92633 and Q9HBW0
DOI: 10.7270/q2df6vt6
title: BindingDB Entry 50011081: Synthesis and biological evaluation of bis-N

description: Small molecule binding data for protein Integrase, Uniprot Q7ZJM1
DOI: 10.7270/q2df6vvn
title: BindingDB Entry 50011703: Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders.

description: Small molecule binding data for protein Bile acid receptor, Estrogen receptor, G-protein coupled bile acid receptor 1, Glucocorticoid receptor, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor subfamily 1 group I member 3, Oxysterols receptor LXR-beta, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Progesterone receptor, Retinoic acid receptor RXR-alpha, Thyroid hormone receptor alpha, and Vitamin D3 receptor, Uniprot O75469, P03372, P04150, P06401, P10827, P11473, P19793, P37231, P55055, Q03181, Q07869, Q14994, Q8TDU6, and Q96RI1
DOI: 10.7270/q2df6vw3
title: BindingDB Entry 50012328: Design and synthesis of 3-(4-pyridyl)-5-(4-sulfamido-phenyl)-1,2,4-oxadiazole derivatives as novel GSK-3β inhibitors and evaluation of their potential as multifunctional anti-Alzheimer agents.

description: Small molecule binding data for protein Glycogen synthase kinase-3 beta, Uniprot P49841
DOI: 10.7270/q2df6vxj
title: BindingDB Entry 50012952: Discovery and SAR of Novel Disubstituted Quinazolines as Dual PI3Kalpha/mTOR Inhibitors Targeting Breast Cancer.

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, and Serine/threonine-protein kinase mTOR, Uniprot P27986, P42336, and P42345
DOI: 10.7270/q2df6vz0
title: BindingDB Entry 50013316: Discovery of potent and highly selective covalent inhibitors of Bruton's tyrosine kinase bearing triazine scaffold.

description: Small molecule binding data for protein Epidermal growth factor receptor, Proto-oncogene tyrosine-protein kinase Src, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, and Tyrosine-protein kinase ITK/TSK, Uniprot P00533, P12931, P51451, Q06187, and Q08881
DOI: 10.7270/q2df6w0v
title: BindingDB Entry 50013607: Parallel discovery of selective and dual inhibitors of tryptophan dioxygenases IDO1 and TDO2 with a newly-modified enzymatic assay.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1 and Tryptophan 2,3-dioxygenase, Uniprot P14902, P21643, and P48775
DOI: 10.7270/q2df6w19
title: BindingDB Entry 50013951: Exploiting the HSP60/10 chaperonin system as a chemotherapeutic target for colorectal cancer.

description: Small molecule binding data for protein 60 kDa heat shock protein, mitochondrial, Co-chaperonin GroES, and Thiosulfate sulfurtransferase, Uniprot P10809, Q16762, and Q7BGE6
DOI: 10.7270/q2df6w2r
title: BindingDB Entry 50014612: Configurational Assignment of a Flexible Benzo[

description: Small molecule binding data for protein Bifunctional epoxide hydrolase 2, Uniprot P34913
DOI: 10.7270/q2dj5jnw
title: BindingDB Entry 9035: Compounds, compositions, and methods

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2, Uniprot Q5S007
DOI: 10.7270/q2dj5jpb
title: BindingDB Entry 9422: Heterocyclic compounds as immunomodulators

description: Small molecule binding data for protein Programmed cell death 1 ligand 1/protein 1 [25-167], Uniprot Q15116 and Q9NZQ7
DOI: 10.7270/q2dj5jqs
title: BindingDB Entry 9631: Pyrazole derivatives as MALT1 inhibitors

description: Small molecule binding data for protein Mucosa-associated lymphoid tissue lymphoma translocation protein 1, Uniprot Q9UDY8
DOI: 10.7270/q2dj5jr7
title: BindingDB Entry 9809: Biaryltriazole inhibitors of macrophage migration inhibitory factor

description: Small molecule binding data for protein Macrophage migration inhibitory factor, Uniprot P14174
DOI: 10.7270/q2dj5jsp
title: BindingDB Entry 10018: Androgen receptor modulating compounds

description: Small molecule binding data for protein Androgen receptor, Uniprot P10275
DOI: 10.7270/q2dj5jt4
title: BindingDB Entry 10405: Pyrrole tricyclic compounds as A2A / A2B inhibitors

description: Small molecule binding data for protein Adenosine receptor A2a, Uniprot P29274
DOI: 10.7270/q2dj5jvk
title: BindingDB Entry 10792: Aryl cyclopropyl-amino-isoquinolinyl amide compounds

description: Small molecule binding data for protein Inhibitor of nuclear factor kappa-B kinase subunit beta, Protein kinase C delta type, Rho-associated protein kinase 1, Rho-associated protein kinase 2, Signal transducer and activator of transcription 5A, TYK2, Tyrosine-protein kinase JAK1, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase JAK3, and cAMP-dependent protein kinase catalytic subunit alpha, Uniprot O14920, O60674, O75116, P17612, P23458, P29597, P42229, P52333, Q05655, and Q13464
DOI: 10.7270/q2dj5jw1
title: BindingDB Entry 50007020: A Conformational Restriction Strategy for the Identification of a Highly Selective Pyrimido-pyrrolo-oxazine mTOR Inhibitor.

description: Small molecule binding data for protein Phosphatidylinositol 3-kinase catalytic subunit type 3, Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, 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, Phosphatidylinositol 4-kinase beta, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, and Target of rapamycin complex subunit LST8, Uniprot O00329, P27986, P42336, P42338, P42345, P48736, Q8NEB9, Q9BPZ7, Q9BVC4, and Q9UBF8
DOI: 10.7270/q2dj5jxg
title: BindingDB Entry 50007641: The Race to Bash NASH: Emerging Targets and Drug Development in a Complex Liver Disease.

description: Small molecule binding data for protein 5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1, Acetyl-CoA carboxylase 1, Acetyl-CoA carboxylase 2, Bile acid receptor, C-C chemokine receptor type 2, C-C chemokine receptor type 7, Diacylglycerol O-acyltransferase 1, Diacylglycerol O-acyltransferase 2, Glucagon-like peptide 1 receptor, Ketohexokinase, Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor delta, Peroxisome proliferator-activated receptor gamma, Sodium/glucose cotransporter 1, and Sodium/glucose cotransporter 2, Uniprot O00763, O75907, P13866, P23204, P31639, P32248, P37231, P41597, P43220, P50053, P54645, P80385, Q02974, Q03181, Q07869, Q13085, Q96PD7, Q96RI1, and Q9QZH4
DOI: 10.7270/q2dj5jzx
title: BindingDB Entry 50007959: Selective Blockade of Neuronal BK (α + β4) Channels Preventing Epileptic Seizure.

description: Small molecule binding data for protein Calcium-activated potassium channel subunit beta-4, Uniprot Q86W47
DOI: 10.7270/q2dj5k0s
title: BindingDB Entry 50008244: Prodrug Activation by a Viral Protease: Evaluating Combretastatin Peptide Hybrids To Selectively Target Infected Cells.

description: Small molecule binding data for protein Genome polyprotein, Uniprot P29990
DOI: 10.7270/q2dj5k17
title: BindingDB Entry 50008570: CN128: A New Orally Active Hydroxypyridinone Iron Chelator.

description: Small molecule binding data for protein Cytochrome P450 1A2, Cytochrome P450 2B6, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A4, and Cytochrome P450 3A5, Uniprot P05177, P08684, P10632, P10635, P11712, P20813, and P20815
DOI: 10.7270/q2dj5k2p
title: BindingDB Entry 50009221: DPD-Inspired Discovery of Novel LsrK Kinase Inhibitors: An Opportunity To Fight Antimicrobial Resistance.

description: Small molecule binding data for protein Autoinducer-2 kinase, Uniprot Q8ZKQ6
DOI: 10.7270/q2dj5k34
title: BindingDB Entry 50009839: Structure-Based Design of 3-(4-Aryl-1H-1,2,3-triazol-1-yl)-Biphenyl Derivatives as P2Y14 Receptor Antagonists.

description: Small molecule binding data for protein Alpha-2A adrenergic receptor, Alpha-2C adrenergic receptor, D(3) dopamine receptor, Delta-type opioid receptor, Histamine H1 receptor, P2Y purinoceptor 1, P2Y purinoceptor 11, P2Y purinoceptor 14, P2Y purinoceptor 2, P2Y purinoceptor 4, P2Y purinoceptor 6, Sigma intracellular receptor 2, and Sigma non-opioid intracellular receptor 1, Uniprot P08913, P18825, P19020, P35367, P41143, P41231, P47900, P51582, Q15077, Q15391, Q5U3Y7, Q60492, and Q96G91
DOI: 10.7270/q2dj5k4k
title: BindingDB Entry 50010414: Discovery of the First Vitamin K Analogue as a Potential Treatment of Pharmacoresistant Seizures.

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/q2dj5k51
title: BindingDB Entry 50010741: Bioisosteric Replacement of Arylamide-Linked Spine Residues with

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2dj5k6g
title: BindingDB Entry 50011038: Design, synthesis and biological evaluation of novel 6-phenyl-1,3a,4,10b-tetrahydro-2H-benzo[c]thiazolo[4,5-e]azepin-2-one derivatives as potential BRD4 inhibitors.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885