cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2028v6c
title: BindingDB Entry 50002889: African trypanosomiasis: Synthesis & SAR enabling novel drug discovery of ubiquinol mimics for trypanosome alternative oxidase.

description: Small molecule binding data for protein Alternative oxidase, mitochondrial, Uniprot Q26710
DOI: 10.7270/q2v98bq2
title: BindingDB Entry 50002890: Selective kappa opioid antagonists for treatment of addiction, are we there yet?

description: Small molecule binding data for protein Delta-type opioid receptor, G_PROTEIN_RECEP_F1_2 domain-containing protein, Kappa-type opioid receptor, Mu-type opioid receptor, Nociceptin/mu opioid receptor, and Opioid receptors; mu & delta, Uniprot A0A286XTF2, P33533, P33535, P35372, P41143, P41144, P41145, and P97266
DOI: 10.7270/q2ks6v7k
title: BindingDB Entry 50002892: 1,4-Naphthoquinones potently inhibiting P2X7 receptor activity.

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q8CHP4, Q99572, and Q9Z1M0
DOI: 10.7270/q2qj7kzw
title: BindingDB Entry 50002891: Synthesis and biological evaluation of NH

description: Small molecule binding data for protein Neuraminidase, Uniprot A5Z252, C4LRQ6, and P03468
DOI: 10.7270/q2g44sxg
title: BindingDB Entry 50002893: Discovery of new potent molecular entities able to inhibit mPGES-1.

description: Small molecule binding data for protein Prostaglandin E synthase/G/H synthase 2 and Prostaglandin G/H synthase (cyclooxygenase), Uniprot O14684 and P05979
DOI: 10.7270/q2bc426j
title: BindingDB Entry 50002894: Design and synthesis of thienopyrimidine urea derivatives with potential cytotoxic and pro-apoptotic activity against breast cancer cell line MCF-7.

description: Small molecule binding data for protein DNA topoisomerase II and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P35968 and Q02880
DOI: 10.7270/q22v2jr3
title: BindingDB Entry 50002896: Identification of highly potent BTK and JAK3 dual inhibitors with improved activity for the treatment of B-cell lymphoma.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK and Tyrosine-protein kinase JAK3, Uniprot A0A024R7M7, P52333, and Q06187
DOI: 10.7270/q26m39gt
title: BindingDB Entry 50002895: Functionalized 2,1-benzothiazine 2,2-dioxides as new inhibitors of Dengue NS5 RNA-dependent RNA polymerase.

description: Small molecule binding data for protein Nonstructural protein 5, Uniprot V5TFZ2
DOI: 10.7270/q2z3228h
title: BindingDB Entry 50002898: The structural requirements of histone deacetylase inhibitors: C4-modified SAHA analogs display dual HDAC6/HDAC8 selectivity.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 3, Histone deacetylase 6, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2pk0jt2
title: BindingDB Entry 50002901: Camptothecin-psammaplin A hybrids as topoisomerase I and HDAC dual-action inhibitors.

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1, Cereblon/Histone deacetylase 2, Histone deacetylase 10, Histone deacetylase 4, and Histone deacetylase 6, Uniprot A0A024QZ26, P56524, Q13547, Q6IT96, Q92769, Q969S8, and Q9UBN7
DOI: 10.7270/q2tb19js
title: BindingDB Entry 50002900: A routinely used protein staining dye acts as an inhibitor of wild type and mutant alpha-synuclein aggregation and modulator of neurotoxicity.

description: Small molecule binding data for protein Alpha-synuclein, Uniprot P37840
DOI: 10.7270/q2jw8hjz
title: BindingDB Entry 50002902: Synthesis and antiproliferative activity of pyrrolo[2,3-b]pyridine derivatives bearing the 1,8-naphthyridin-2-one moiety.

description: Small molecule binding data for protein Epidermal growth factor receptor, Hepatocyte growth factor receptor, Mast/stem cell growth factor receptor Kit, Tyrosine-protein kinase receptor FLT3, VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024R759, P00533, P08581, P09619, P10721, P35968, and P36888
DOI: 10.7270/q29c713m
title: BindingDB Entry 50002904: Design, synthesis, and biological evaluation of a series of resorcinol-based N-benzyl benzamide derivatives as potent Hsp90 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, and Heat shock protein HSP 90-alpha, Uniprot C1ID52, K9JA46, P05177, P07900, P08684, P10635, P11712, P20815, P24462, P33261, Q6GRK0, Q9HB55, and S5RV20
DOI: 10.7270/q2f47rtj
title: BindingDB Entry 50002903: Design, synthesis and biological evaluation of novel 2-aminobenzamides containing dithiocarbamate moiety as histone deacetylase inhibitors and potent antitumor agents.

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 6, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q21v5hmq
title: BindingDB Entry 50002906: Tamoxifen a pioneering drug: An update on the therapeutic potential of tamoxifen derivatives.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2/Estrogen receptor and Prostaglandin G/H synthase (cyclooxygenase), Uniprot G4XH65, P03372, and P79208
DOI: 10.7270/q25m68cw
title: BindingDB Entry 50002905: Exploiting polypharmacology for improving therapeutic outcome of kinase inhibitors (KIs): An update of recent medicinal chemistry efforts.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2x35144
title: BindingDB Entry 50002907: Xanthine oxidase inhibitory activity of natural and hemisynthetic flavonoids from Gardenia oudiepe (Rubiaceae) in vitro and molecular docking studies.

description: Small molecule binding data for protein Xanthine dehydrogenase, Uniprot P80457
DOI: 10.7270/q2np273d
title: BindingDB Entry 50002911: Design, synthesis and evaluation of an anthraquinone derivative conjugated to myelin basic protein immunodominant (MBP

description: Small molecule binding data for protein Human leukocyte antigen DR beta chain, Uniprot D7RIG0
DOI: 10.7270/q2sf2ztb
title: BindingDB Entry 50002909: Accelerated skin wound healing by selective 11β-Hydroxylase (CYP11B1) inhibitors.

description: Small molecule binding data for protein 11-beta-hydroxysteroid dehydrogenase and Cytochrome P450 11B1, Uniprot P15538, P28845, and X5D2L1
DOI: 10.7270/q2hx1gcp
title: BindingDB Entry 50002912: Synthesis and biological evaluation of coumarin derivatives containing imidazole skeleton as potential antibacterial agents.

description: Small molecule binding data for protein Enoyl-(Acyl-carrier-protein) reductase II, Uniprot Q8E1K8
DOI: 10.7270/q28c9zx0
title: BindingDB Entry 50002914: A highly potent CDK4/6 inhibitor was rationally designed to overcome blood brain barrier in gliobastoma therapy.

description: Small molecule binding data for protein CDK2/CycE, CDK6/G1/S-specific cyclin D3, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 4 (CDK4), Mitogen-activated protein kinase kinase kinase 14, and Tyrosine-protein kinase JAK3, Uniprot A0A024R7M7, A0A024RB77, A0A024RBB6, P06493, P11802, P20248, P24385, P24864, P24941, P30281, P52333, Q00534, Q6FI00, and Q99558
DOI: 10.7270/q2d50qn8
title: BindingDB Entry 50002913: Bioactive products from singlet oxygen photooxygenation of cannabinoids.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot A0A024RAH7, P21554, P34972, and S5TLS4
DOI: 10.7270/q24m9762
title: BindingDB Entry 50002915: Synthesis and biological evaluation of novel 1-(aryl-aldehyde-oxime)uracil derivatives as a new class of thymidine phosphorylase inhibitors.

description: Small molecule binding data for protein Thymidine phosphorylase, Uniprot E5KRG5 and P19971
DOI: 10.7270/q20v8ggb
title: BindingDB Entry 50002916: Structure-activity studies on N-Substituted tranylcypromine derivatives lead to selective inhibitors of lysine specific demethylase 1 (LSD1) and potent inducers of leukemic cell differentiation.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, P27338, and Q53YE7
DOI: 10.7270/q2w66pdp
title: BindingDB Entry 50002917: 2-Substituted 7-trifluoromethyl-thiadiazolopyrimidones as alkaline phosphatase inhibitors. Synthesis, structure activity relationship and molecular docking study.

description: Small molecule binding data for protein Alkaline phosphatase, tissue-nonspecific isozyme and Intestinal alkaline phosphatase, Uniprot A0A024R4A2, A0A024RAB4, P05186, and P09923
DOI: 10.7270/q2rf5xpz
title: BindingDB Entry 50002918: Antagonists of the adenosine A

description: Small molecule binding data for protein Adenosine receptor A1 and Adenosine receptor A2a, Uniprot P29274, P30542, and X5DNB4
DOI: 10.7270/q2gx4f79
title: BindingDB Entry 50002920: Naturally occurring Diels-Alder-type adducts from Morus nigra as potent inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase B.

description: Small molecule binding data for protein Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP, Phosphotyrosine protein phosphatase, Probable low molecular weight protein-tyrosine-phosphatase, Protein-tyrosine phosphatase 1B, and Tyrosine-protein phosphatase non-receptor type 12 (PTP-PEST), Uniprot A8K3M3, P18031, P96830, P9WIA1, Q05209, and Q9Y2R2
DOI: 10.7270/q2mp55zm
title: BindingDB Entry 50002919: Substrate-derived triazolo- and azapeptides as inhibitors of cathepsins K and S.

description: Small molecule binding data for protein Cathepsin (H and K), Cathepsin (L and K), Cathepsin K, and Cathepsin S, Uniprot A0A024R276, P07711, P09668, P25774, and P43235
DOI: 10.7270/q2c53phw
title: BindingDB Entry 50002921: Development of inhibitors of receptor protein tyrosine phosphatase β/ζ (PTPRZ1) as candidates for CNS disorders.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B and Receptor-type tyrosine-protein phosphatase zeta, Uniprot A8K3M3, P18031, and P23471
DOI: 10.7270/q23n2627
title: BindingDB Entry 50002923: Multifunctional thiosemicarbazones and deconstructed analogues as a strategy to study the involvement of metal chelation, Sigma-2 (σ

description: Small molecule binding data for protein Multidrug resistance protein 1/Multidrug resistance associated protein 1 and Sigma intracellular receptor 2, Uniprot A4D1D2, P08183, and Q5U3Y7
DOI: 10.7270/q27d2xs5
title: BindingDB Entry 50002922: Discovery of anilino-furo[2,3-d]pyrimidine derivatives as dual inhibitors of EGFR/HER2 tyrosine kinase and their anticancer activity.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q20004r4
title: BindingDB Entry 50002924: Development of novel β-carboline-based hydroxamate derivatives as HDAC inhibitors with antiproliferative and antimetastatic activities in human cancer cells.

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1, Histone deacetylase 3, Histone deacetylase 6, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, Q13547, Q6IT96, Q9BY41, and Q9UBN7
DOI: 10.7270/q2qf8wjk
title: BindingDB Entry 50002926: Design, synthesis, and biological evaluation of polo-like kinase 1/eukaryotic elongation factor 2 kinase (PLK1/EEF2K) dual inhibitors for regulating breast cancer cells apoptosis and autophagy.

description: Small molecule binding data for protein Eukaryotic elongation factor 2 kinase and Serine/threonine-protein kinase PLK1, Uniprot O00418 and P53350
DOI: 10.7270/q2v69n89
title: BindingDB Entry 50002925: A new family of densely functionalized fused-benzoquinones as potent human protein kinase CK2 inhibitors.

description: Small molecule binding data for protein Casein kinase II alpha/beta and Casein kinase II subunit alpha 3, Uniprot P67874, P68400, Q68G11, and Q8NEV1
DOI: 10.7270/q2kp84t7
title: BindingDB Entry 50002927: Structural and biological characterization of new hybrid drugs joining an HDAC inhibitor to different NO-donors.

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1, Cereblon/Histone deacetylase 2, and Histone deacetylase 3, Uniprot O15379, Q13547, Q6IT96, and Q92769
DOI: 10.7270/q2b56ndz
title: BindingDB Entry 50002929: Hydroxymethyl bioisosteres of phenolic GluN2B-selective NMDA receptor antagonists: Design, synthesis and pharmacological evaluation.

description: Small molecule binding data for protein Glutamate receptor ionotropic, NMDA 2B, Sigma intracellular receptor 2, and Sigma-1 receptor, Uniprot Q13224, Q5U3Y7, and Q60492
DOI: 10.7270/q2fx7d4c
title: BindingDB Entry 50002928: Novel click modifiable thioquinazolinones as anti-inflammatory agents: Design, synthesis, biological evaluation and docking study.

description: Small molecule binding data for protein Prostaglandin E synthase/G/H synthase 2, Prostaglandin G/H synthase (cyclooxygenase), and Serine/threonine-protein kinase Chk1/2, Uniprot O14757, P05979, and P35354
DOI: 10.7270/q26d5wp7
title: BindingDB Entry 50002930: Synthesis and antidepressant-like activity of novel aralkyl piperazine derivatives targeting SSRI/5-HT

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 7, Alpha-1A adrenergic receptor, and Sodium-dependent serotonin transporter, Uniprot P08908, P31645, P31652, P34969, P35348, P40989, and Q5ZGX3
DOI: 10.7270/q22r3vbs
title: BindingDB Entry 50002931: Peramivir conjugates as orally available agents against influenza H275Y mutant.

description: Small molecule binding data for protein Neuraminidase, Uniprot A5Z252, D5F1R0, P03470, and P03471
DOI: 10.7270/q2z03bvs
title: BindingDB Entry 50002932: Synthesis and biological evaluation of a series of multi-target N-substituted cyclic imide derivatives with potential antipsychotic effect.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C, Alpha-1A adrenergic receptor, D(2) dopamine receptor, Histamine H1 receptor, and Muscarinic acetylcholine receptor M1 and M3, Uniprot A0A024R3C5, A0A024R3W1, P08908, P14416, P20309, P28223, P28335, P35348, P35367, P40989, and Q5ZGX3
DOI: 10.7270/q2pg1vdr
title: BindingDB Entry 50002934: Design and synthesis of 2-(4,5,6,7-tetrahydrothienopyridin-2-yl)-benzoimidazole carboxamides as novel orally efficacious Poly(ADP-ribose)polymerase (PARP) inhibitors.

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase 1 and Poly [ADP-ribose] polymerase 2, Uniprot A0A024R3T8, P09874, and Q9UGN5
DOI: 10.7270/q2t72m4g
title: BindingDB Entry 50002933: Synthesis and bioevaluation and doking study of 1H-pyrrolo[2,3-b]pyridine derivatives bearing aromatic hydrazone moiety as c-Met inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor, Hepatocyte growth factor receptor, Tyrosine-protein kinase receptor FLT3, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024R759, P00533, P08581, P35968, and P36888
DOI: 10.7270/q2jq13pd
title: BindingDB Entry 50002935: Chameleon-like behavior of indolylpiperidines in complex with cholinesterases targets: Potent butyrylcholinesterase inhibitors.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P06276 and P22303
DOI: 10.7270/q2dz0bzp
title: BindingDB Entry 50002936: In vivo potent BM635 analogue with improved drug-like properties.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q25h7jxq
title: BindingDB Entry 50002938: Rational approach to highly potent and selective apoptosis signal-regulating kinase 1 (ASK1) inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 5, Uniprot Q99683
DOI: 10.7270/q2959m74
title: BindingDB Entry 50002937: Structure-based design of human immuno- and constitutive proteasomes inhibitors.

description: Small molecule binding data for protein 26S proteosome, Proteasome Macropain subunit, Proteasome component C5, Proteasome subunit beta type-1/beta type-5, Proteasome subunit beta type-10, and Proteasome subunit beta type-9, Uniprot A0A140VJS6, A0A140VK45, A0A1U9X8D7, P20618, P28062, P28065, P28074, P40306, P49721, and X5CMJ9
DOI: 10.7270/q21r6t6d
title: BindingDB Entry 50002939: Design, synthesis, and biological evaluation of novel catecholopyrimidine based PDE4 inhibitor for the treatment of atopic dermatitis.

description: Small molecule binding data for protein Phosphodiesterase 11A, Phosphodiesterase 3 and 5 (PDE3 and PDE5), Phosphodiesterase 4 and 5 (PDE4 and PDE5), cAMP-specific 3',5'-cyclic phosphodiesterase 4B, cAMP-specific 3',5'-cyclic phosphodiesterase 4C isoform 1, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot A0A140VJR0, P27815, Q07343, Q08493, Q08499, Q13370, Q9HCR9, and X5DNX5
DOI: 10.7270/q2x069qd
title: BindingDB Entry 50002941: Alkyl indole-based cannabinoid type 2 receptor tools: Exploration of linker and fluorophore attachment.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot A0A024RAH7, P21554, P34972, and S5TLS4
DOI: 10.7270/q2s75k03
title: BindingDB Entry 50002942: Biocompatible Boron-Containing Prodrugs of Belinostat for the Potential Treatment of Solid Tumors.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 6, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2hq42j1
title: BindingDB Entry 50002944: Ribemansides A and B, TRPC6 Inhibitors from Ribes manshuricum That Suppress TGF-β1-Induced Fibrogenesis in HK-2 Cells.

description: Small molecule binding data for protein Short transient receptor potential channel 6, Uniprot Q61143
DOI: 10.7270/q2ng4t9t
title: BindingDB Entry 50002943: Ca

description: Small molecule binding data for protein Axin-1/Glycogen synthase kinase-3 beta, Uniprot P49841 and Q6FI27
DOI: 10.7270/q2cz39t9
title: BindingDB Entry 50002946: Catecholic Isoquinolines from Portulaca oleracea and Their Anti-inflammatory and β

description: Small molecule binding data for protein Adrenergic receptor, Uniprot P07550 and X5DQM5
DOI: 10.7270/q24j0htb
title: BindingDB Entry 50002950: Allosteric Modulators of Nicotinic Acetylcholine Receptors Useful for the Treatment of Cognitive Impairment.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P36544
DOI: 10.7270/q28918j2
title: BindingDB Entry 50002947: Acyl Sulfonamides NaV1.7 Blockers Useful for the Treatment of Pain.

description: Small molecule binding data for protein Sodium channel protein type 5 subunit alpha and Sodium channel protein type 9 subunit alpha, Uniprot Q14524 and Q15858
DOI: 10.7270/q20r9s3g
title: BindingDB Entry 50002952: Azabicyclic Fused Pyrimidine Derivatives Useful for the Treatment of Alzheimer's Disease.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2mg7s5f
title: BindingDB Entry 50002956: Dual GSK-3β/AChE Inhibitors as a New Strategy for Multitargeting Anti-Alzheimer's Disease Drug Discovery.

description: Small molecule binding data for protein Axin-1/Glycogen synthase kinase-3 beta, Cholinesterase, and Cholinesterases; ACHE & BCHE, Uniprot P06276, P22303, P49841, P81908, and Q6FI27
DOI: 10.7270/q2r78hwr
title: BindingDB Entry 50002955: Thiazole Derivatives as Inhibitors for the Treatment of Cancer Cells Resistant.

description: Small molecule binding data for protein L-lactate dehydrogenase A chain, Uniprot P00338 and V9HWB9
DOI: 10.7270/q2w098mg
title: BindingDB Entry 50002953: Histone Deacetylase Inhibitors as Treatment for Targeting Multiple Components in Cancer Therapy.

description: Small molecule binding data for protein Histone deacetylase and Protein G9a (G9a), Uniprot A0A024QZ26, A0A024RCN9, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q96KQ7, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q27947c7
title: BindingDB Entry 50002959: 2-Formylpyridyl Ureas as Highly Selective Reversible-Covalent Inhibitors of Fibroblast Growth Factor Receptor 4.

description: Small molecule binding data for protein Fibroblast growth factor receptor 4, Uniprot P22455
DOI: 10.7270/q2c2503z
title: BindingDB Entry 50002958: Discovery of a Stress-Activated Protein Kinase Inhibitor for Lymphatic Filariasis.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14 and Mitogen-activated protein kinase 8/9, Uniprot A0A024RD15, P45983, and Q16539
DOI: 10.7270/q2gq71f3
title: BindingDB Entry 50002957: Unraveling the Binding, Proton Blockage, and Inhibition of Influenza M2 WT and S31N by Rimantadine Variants.

description: Small molecule binding data for protein Matrix protein 2, Uniprot P0DOF5
DOI: 10.7270/q23j3gnh
title: BindingDB Entry 50002960: Mitigating the Metabolic Liability of Carbonyl Reduction: Novel Calpain Inhibitors with P1' Extension.

description: Small molecule binding data for protein Calpain1/2, Uniprot P07384
DOI: 10.7270/q2v127gn
title: BindingDB Entry 50002962: Novel Staphyloxanthin Inhibitors with Improved Potency against Multidrug Resistant

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming), and Dehydrosqualene desaturase, Uniprot O07855, P40989, and Q8NUQ6
DOI: 10.7270/q2zs3062
title: BindingDB Entry 50002961: In Search of the Optimal Macrocyclization Site for Neurotensin.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P30989
DOI: 10.7270/q2kh0r1m
title: BindingDB Entry 50002965: Linker Variation and Structure-Activity Relationship Analyses of Carboxylic Acid-based Small Molecule STAT3 Inhibitors.

description: Small molecule binding data for protein Transcription Factor STAT3, Uniprot P42227
DOI: 10.7270/q2q81grx
title: BindingDB Entry 50002964: Identification and Structure-Guided Development of Pyrimidinone Based USP7 Inhibitors.

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 7, Uniprot Q93009
DOI: 10.7270/q2b27xzs
title: BindingDB Entry 50002968: Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2ft8pp6
title: BindingDB Entry 50002966: Discovery of Pyridopyrimidinones as Potent and Orally Active Dual Inhibitors of PI3K/mTOR.

description: Small molecule binding data for protein PIK3CG/PIK3R1, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, Phosphoinositide 3-Kinase (PI3K), delta, mTOR/FKBP12A/FKBP12B, and p110β/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P42336, P42338, P42345, and P48736
DOI: 10.7270/q269767v
title: BindingDB Entry 50002969: Elimination of HIV-1 Latently Infected Cells by Gnidimacrin and a Selective HDAC Inhibitor.

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1 and Cereblon/Histone deacetylase 2, Uniprot Q13547, Q6IT96, and Q92769
DOI: 10.7270/q22j6fh4
title: BindingDB Entry 50002970: Stereochemical Structure Activity Relationship Studies (S-SAR) of Tetrahydrolipstatin.

description: Small molecule binding data for protein Pancreatic triacylglycerol lipase, Uniprot P00591