cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2m32zch
title: BindingDB Entry 50002367: Discovery of Novel Small-Molecule Inhibitors of NF-κB Signaling with Antiinflammatory and Anticancer Properties.

description: Small molecule binding data for protein Interleukin-1 receptor type 1, Protein kinase C (PKC), Toll-like receptor 7, and Tumor necrosis factor receptor R1, Uniprot A0A024R328, B2R9N9, L7RSM7, L7RTI5, O94806, P05129, P05771, P14778, P17252, P19438, P24723, P41743, Q02156, Q04759, Q05513, Q05655, Q15139, and Q9NYK1
DOI: 10.7270/q2qv3q3x
title: BindingDB Entry 50002366: Discovery of Novel Pazopanib-Based HDAC and VEGFR Dual Inhibitors Targeting Cancer Epigenetics and Angiogenesis Simultaneously.

description: Small molecule binding data for protein Fibroblast growth factor receptor 1, Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Histone deacetylase, Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3, Histone deacetylase 6, Histone deacetylase 8, Macrophage colony-stimulating factor 1 receptor, Mast/stem cell growth factor receptor Kit, VEGF-receptor 2 and PDGF-receptor beta (KDR and PDGFR beta), Vascular endothelial growth factor receptor 1, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot A0A024QZ26, L7RSL3, O15379, P07333, P09619, P10721, P11362, P17948, P35916, P35968, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2gb26pm
title: BindingDB Entry 50002368: Design and Synthesis of Novel and Selective Glycine Transporter-1 (GlyT1) Inhibitors with Memory Enhancing Properties.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Cytochrome P450 3A5 (CYP3A5), Glycine transporter 1, and Glycine transporter 2, Uniprot C1ID52, P05177, P08684, P10635, P11712, P20815, P28572, P33261, P40989, P48067, Q6GRK0, Q9Y345, and S5RV20
DOI: 10.7270/q26w9dps
title: BindingDB Entry 50002370: Spiro[pyrrolidine-3,3'-oxindoles] as 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 6, and 5-hydroxytryptamine receptor 7, Uniprot P08908, P28223, P34969, P50406, and Q5ZGX3
DOI: 10.7270/q2bp05cm
title: BindingDB Entry 50002369: Detailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological Spaces.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, DNA (cytosine-5)-methyltransferase 1, Histone-lysine N-methyltransferase EHMT1, and Protein G9a (G9a), Uniprot A0A024RCN9, P26358, P40989, Q96KQ7, and Q9H9B1
DOI: 10.7270/q2348p07
title: BindingDB Entry 50002371: Lung cancer and matrix metalloproteinases inhibitors of polyphenols from Selaginella tamariscina with suppression activity of migration.

description: Small molecule binding data for protein 72 kDa type IV collagenase, Matrix metalloproteinase (2 and 3), and Matrix metalloproteinase-9, Uniprot A0A024R6R4, P08253, P08254, and P14780
DOI: 10.7270/q2zc85gg
title: BindingDB Entry 50002372: Development of a Novel Human Parathyroid Hormone Receptor 1 (hPTHR1) Agonist (CH5447240), a Potent and Orally Available Small Molecule for Treatment of Hypoparathyroidism.

description: Small molecule binding data for protein Parathyroid hormone receptor, Uniprot A1LPH3 and Q03431
DOI: 10.7270/q2tm7dq9
title: BindingDB Entry 50002373: Design, synthesis, and biological evaluation of pyrazole derivatives containing acetamide bond as potential BRAF

description: Small molecule binding data for protein Serine/threonine-protein kinase B-raf, Uniprot P28028
DOI: 10.7270/q2pv6p00
title: BindingDB Entry 50002374: Scaffold-Hopping Approach To Discover Potent, Selective, and Efficacious Inhibitors of NF-κB Inducing Kinase.

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase 14 and Nuclear factor NF-kappa-B, Uniprot Q04206 and Q99558
DOI: 10.7270/q2ff3w01
title: BindingDB Entry 50002376: Discovery of a Potent, Orally Bioavailable PI4KIIIβ Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 3A, Phosphatidylinositol 4-kinase alpha (PI4KA), and Phosphatidylinositol 4-kinase beta, Uniprot P08684, P40989, P42356, Q6GRK0, and Q9UBF8
DOI: 10.7270/q2k64mpw
title: BindingDB Entry 50002375: Discovery of Potent, Selective, and Peripherally Restricted Pan-Trk Kinase Inhibitors for the Treatment of Pain.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Alpha-1A adrenergic receptor, High affinity nerve growth factor receptor, Neurotrophic tyrosine kinase receptor, and Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2), Uniprot P04629, P35348, P35968, P40989, Q16288, Q16620, Q548C2, and X5D2R1
DOI: 10.7270/q29p3494
title: BindingDB Entry 50002377: Design, semisynthesis, α-glucosidase inhibitory, cytotoxic, and antibacterial activities of p-terphenyl derivatives.

description: Small molecule binding data for protein Probable maltase-glucoamylase 2, Uniprot Q2M2H8
DOI: 10.7270/q2251mtj
title: BindingDB Entry 50002379: The selectivity and bioavailability improvement of novel oral anticoagulants: An overview.

description: Small molecule binding data for protein Coagulation factor III/Factor VIIa (fVIIa), Thrombin and coagulation factor X, and Trypsin, Uniprot P00734, P00742, P07477, P07478, P08709, P13726, P35030, Q5JVE7, and Q5NV56
DOI: 10.7270/q25x2ckd
title: BindingDB Entry 50002378: Design, synthesis, mechanistic and histopathological studies of small-molecules of novel indole-2-carboxamides and pyrazino[1,2-a]indol-1(2H)-ones as potential anticancer agents effecting the reactive oxygen species production.

description: Small molecule binding data for protein Epidermal growth factor receptor and Serine/threonine-protein kinase B-raf, Uniprot P00533 and P28028
DOI: 10.7270/q2xd1496
title: BindingDB Entry 50002380: Novel butanehydrazide derivatives of purine-2,6-dione as dual PDE4/7 inhibitors with potential anti-inflammatory activity: Design, synthesis and biological evaluation.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot A0A140VJR0, Q07343, Q08499, Q13946, and X5DNX5
DOI: 10.7270/q2nz8b7g
title: BindingDB Entry 50002383: Design, synthesis and biological evaluation of novel 4-aminoquinazolines as dual target inhibitors of EGFR-PI3Kα.

description: Small molecule binding data for protein Epidermal growth factor receptor, PIK3CG/PIK3R1, Phosphatidylinositol 3-kinase regulatory subunit beta/Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform/[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial, and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, Uniprot A0A024R720, A0A2K8FKV1, O00329, P00533, P42336, P42338, and P48736
DOI: 10.7270/q2sn0cmx
title: BindingDB Entry 50002382: Aryl thiosemicarbazones for the treatment of trypanosomatidic infections.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Aurora kinase B, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot C1ID52, P05177, P08684, P10635, P11712, P33261, P40989, Q6GRK0, Q96GD4, and S5RV20
DOI: 10.7270/q2df6tv7
title: BindingDB Entry 50002386: Ridaifen-F conjugated with cell-penetrating peptides inhibits intracellular proteasome activities and induces drug-resistant cell death.

description: Small molecule binding data for protein Proteasome Macropain subunit, Proteasome component C5, and Proteasome subunit beta type-1/beta type-5, Uniprot A0A140VJS6, A0A140VK45, P20618, P28074, and P49721
DOI: 10.7270/q2j67kjh
title: BindingDB Entry 50002384: Structure activity relationships, multidrug resistance reversal and selectivity of heteroarylphenyl ABCG2 inhibitors.

description: Small molecule binding data for protein ATP-binding cassette sub-family G member 2 and Multidrug resistance protein 1/Multidrug resistance associated protein 1, Uniprot A1LUE4, A4D1D2, P08183, and Q9UNQ0
DOI: 10.7270/q28p635r
title: BindingDB Entry 50002387: Regioselective synthesis of 7-O-esters of the flavonolignan silibinin and SARs lead to compounds with overadditive neuroprotective effects.

description: Small molecule binding data for protein Beta amyloid A4 protein and Microtubule-associated protein tau, Uniprot A0A024R9Y1, A0A140VJC8, P05067, and P10636
DOI: 10.7270/q24x5bdk
title: BindingDB Entry 50002388: Design, synthesis and identification of silicon-containing HCV NS5A inhibitors with pan-genotype activity.

description: Small molecule binding data for protein HCV NS5B Polymerase and Nonstructural protein 5A, Uniprot Q5L478 and Q99IB8
DOI: 10.7270/q2154knq
title: BindingDB Entry 50002389: Design, synthesis and biological evaluation of tetrahydronaphthyridine derivatives as bioavailable CDK4/6 inhibitors for cancer therapy.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, CDK6/G1/S-specific cyclin D3, Cyclin-Dependent Kinase 1 (CDK1), Cyclin-Dependent Kinase 9 (CDK9), Cyclin-dependent kinase 4/G1/S-specific cyclin-E1, Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot A0A024R880, A0A024RBB6, C1ID52, O60563, P05177, P06493, P08684, P10632, P10635, P11712, P11802, P14635, P20813, P24864, P30281, P40989, P50750, Q00534, Q6GRK0, and S5RV20
DOI: 10.7270/q2wd4368
title: BindingDB Entry 50002390: Targeting G-quadruplex DNA structures in the telomere and oncogene promoter regions by benzimidazole‒carbazole ligands.

description: Small molecule binding data for protein Telomerase reverse transcriptase, Uniprot O14746
DOI: 10.7270/q2n0195v
title: BindingDB Entry 50002392: Cyclic peptide inhibitors of lysine-specific demethylase 1 with improved potency identified by alanine scanning mutagenesis.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A, Amine oxidase [flavin-containing] B, and REST corepressor 1, Uniprot P21397, P27338, Q53YE7, and Q9UKL0
DOI: 10.7270/q2rr21vd
title: BindingDB Entry 50002391: Alkynyl-containing phenylthiazoles: Systemically active antibacterial agents effective against methicillin-resistant Staphylococcus aureus (MRSA).

description: Small molecule binding data for protein Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) and Undecaprenyl-diphosphatase, Uniprot P60472 and P60932
DOI: 10.7270/q2h70jf4
title: BindingDB Entry 50002393: Discovery of 2,4,6-trisubstitued pyrido[3,4-d]pyrimidine derivatives as new EGFR-TKIs.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q27p920x
title: BindingDB Entry 50002395: Novel Tacrine-Hydroxyphenylbenzimidazole hybrids as potential multitarget drug candidates for Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q2cf9sqv
title: BindingDB Entry 50002394: Synthesis and activity towards Alzheimer's disease in vitro: Tacrine, phenolic acid and ligustrazine hybrids.

description: Small molecule binding data for protein Acetylcholinesterase, Cholinesterase, and Cholinesterases; ACHE & BCHE, Uniprot O42275, P06276, P22303, and P81908
DOI: 10.7270/q23x897r
title: BindingDB Entry 50002396: New MD2 inhibitors derived from curcumin with improved anti-inflammatory activity.

description: Small molecule binding data for protein Lymphocyte antigen 96, Uniprot Q9Y6Y9
DOI: 10.7270/q2057jjs
title: BindingDB Entry 50002398: Family-wide analysis of aminoacyl-sulfamoyl-3-deazaadenosine analogues as inhibitors of aminoacyl-tRNA synthetases.

description: Small molecule binding data for protein Leucine--tRNA ligase, Serine--tRNA ligase, Tyrosine--tRNA ligase, tRNA synthetase (AspRS), and tRNA synthetase (IleRS), Uniprot A0A4S5B026, A0A6D2XNH0, P00956, P07813, P0A8L1, P0AGJ9, and P21889
DOI: 10.7270/q2vh5rgt
title: BindingDB Entry 50002399: Discovery and optimization of ATX inhibitors via modeling, synthesis and biological evaluation.

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Uniprot Q13822
DOI: 10.7270/q2qr50sx
title: BindingDB Entry 50002400: Benzomorphan scaffold for opioid analgesics and pharmacological tools development: A comprehensive review.

description: Small molecule binding data for protein Delta-type opioid receptor, G_PROTEIN_RECEP_F1_2 domain-containing protein, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot A0A286XTF2, H9FL65, P35372, P41143, P41144, P41145, P97266, and Q9MYW9
DOI: 10.7270/q2g73hcn
title: BindingDB Entry 50002402: Secretase inhibitors for the treatment of Alzheimer's disease: Long road ahead.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2m0483c
title: BindingDB Entry 50002401: Precise structures of fucosylated glycosaminoglycan and its oligosaccharides as novel intrinsic factor Xase inhibitors.

description: Small molecule binding data for protein Coagulation factor IX/VIII, Uniprot P00451 and P00740
DOI: 10.7270/q2bg2rmg
title: BindingDB Entry 50002403: Pan-NS3 protease inhibitors of hepatitis C virus based on an R

description: Small molecule binding data for protein Hepatitis C virus serine protease, NS3/NS4A, Uniprot A3EZI9,A3EZI0,Q4JMH3,A3EZH6,Q4JMF9,A3EZI6,Q4JMF6,A3EZH0,A3EZH3,A3EZG8,Q4JMG4,A3EZI5,A3EZG9
DOI: 10.7270/q22z185t
title: BindingDB Entry 50002405: Synthesis and molecular docking of new roflumilast analogues as preferential-selective potent PDE-4B inhibitors with improved pharmacokinetic profile.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4B and cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot A0A140VJR0, Q07343, Q08499, and X5DNX5
DOI: 10.7270/q26q20vp
title: BindingDB Entry 50002404: Discovery of carbazole carboxamides as novel RORγt inverse agonists.

description: Small molecule binding data for protein Nuclear receptor ROR-gamma (RORC), Uniprot P51449 and Q6I9R9
DOI: 10.7270/q2z89g1q
title: BindingDB Entry 50002407: Novel indanone derivatives as MAO B/H

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A, Amine oxidase [flavin-containing] B, and Histamine receptor (H3 and H4), Uniprot P21397, P27338, Q53YE7, and Q9Y5N1
DOI: 10.7270/q2th8qbf
title: BindingDB Entry 50002408: Design, synthesis, and structure-activity-relationship of a novel series of CXCR4 antagonists.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and C-X-C chemokine receptor type 4, Uniprot P40989 and P61073
DOI: 10.7270/q2k076wp
title: BindingDB Entry 50002411: Facile synthesis of 1,2-dione-containing abietane analogues for the generation of human carboxylesterase inhibitors.

description: Small molecule binding data for protein Acyl coenzyme A:cholesterol acyltransferase, Uniprot P23141
DOI: 10.7270/q2pr7zmq
title: BindingDB Entry 50002409: Discovery and characterization of a potent Wnt and hedgehog signaling pathways dual inhibitor.

description: Small molecule binding data for protein Probable protein-cysteine N-palmitoyltransferase porcupine and Smoothened homolog, Uniprot P56726, Q4VBD5, Q99835, and Q9JJJ7
DOI: 10.7270/q2f76g5c
title: BindingDB Entry 50002412: The chemical diversity and structure-based evolution of non-peptide CXCR4 antagonists with diverse therapeutic potential.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4, Uniprot P61073
DOI: 10.7270/q29g5qd6
title: BindingDB Entry 50002415: Trypanothione reductase inhibition and anti-leishmanial activity of all-hydrocarbon stapled α-helical peptides with improved proteolytic stability.

description: Small molecule binding data for protein Trypanothione reductase, Uniprot A0A5K1USX6,A4HSF7
DOI: 10.7270/q25q4zqx
title: BindingDB Entry 50002417: Identification of Pyrazolo[3,4-e][1,4]thiazepin based CYP51 inhibitors as potential Chagas disease therapeutic alternative: In vitro and in vivo evaluation, binding mode prediction and SAR exploration.

description: Small molecule binding data for protein Sterol 14-alpha demethylase (CYP51), Uniprot Q7Z1V1
DOI: 10.7270/q2222xcs
title: BindingDB Entry 50002418: Design and synthesis of furyl/thineyl pyrroloquinolones based on natural alkaloid perlolyrine, lead to the discovery of potent and selective PDE5 inhibitors.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase and Phosphodiesterase 11A, Uniprot O76074, P51160, and Q9HCR9
DOI: 10.7270/q2x92dxx
title: BindingDB Entry 50002419: Indole in the target-based design of anticancer agents: A versatile scaffold with diverse mechanisms.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase (HDAC1 and HDAC2), Histone deacetylase 1, Histone deacetylase 4, Histone deacetylase 8, Serine/threonine-protein kinase pim-1, Sigma intracellular receptor 2, and Sigma-1 receptor, Uniprot A0A024QZ26, A0A024RD25, O15379, P11309, P56524, Q13547, Q5U3Y7, Q60492, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2sj1p72
title: BindingDB Entry 50002420: Development of Piperazinediones as dual inhibitor for treatment of Alzheimer's disease.

description: Small molecule binding data for protein 72 kDa type IV collagenase, Acetylcholinesterase, and Cholinesterase, Uniprot A0A024R6R4, O42275, P08253, and P81908
DOI: 10.7270/q2j105rv
title: BindingDB Entry 50002422: Structure-based optimization of a series of selective BET inhibitors containing aniline or indoline groups.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2ns0xhb
title: BindingDB Entry 50002421: The aminopyridine-3,5-dicarbonitrile core for the design of new non-nucleoside-like agonists of the human adenosine A

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, P30542, and X5DNB4
DOI: 10.7270/q2d79f0j
title: BindingDB Entry 50002423: Polypharmacology in HIV inhibition: can a drug with simultaneous action against two relevant targets be an alternative to combination therapy?

description: Small molecule binding data for protein Gag-Pol polyprotein, Human immunodeficiency virus type 1 reverse transcriptase, and Reverse transcriptase, Uniprot P04585, Q72547, and Q9WKE8
DOI: 10.7270/q28g8p98
title: BindingDB Entry 50002425: Identification of small-molecule inhibitors of USP2a.

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 2, Uniprot O75604
DOI: 10.7270/q2125w99
title: BindingDB Entry 50002428: Discovery of meta-sulfamoyl N-hydroxybenzamides as HDAC8 selective inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 6, and Histone deacetylase 8, Uniprot A0A024QZ26, Q13547, Q6IT96, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q24t6n08
title: BindingDB Entry 50002427: Synthesis and antimycobacterial activity of 1-(β-d-Ribofuranosyl)-4-coumarinyloxymethyl- / -coumarinyl-1,2,3-triazole.

description: Small molecule binding data for protein DNA Gyrase Subunit B, Uniprot P0AES6
DOI: 10.7270/q2w95ct0
title: BindingDB Entry 50002429: The concept of hybrid molecules of tacrine and benzyl quinolone carboxylic acid (BQCA) as multifunctional agents for Alzheimer's disease.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE and Muscarinic acetylcholine receptor M1 and M3, Uniprot P06276, P11229, P22303, and Q53XZ3
DOI: 10.7270/q2ms3wcz
title: BindingDB Entry 50002432: Novel ciprofloxacin hybrids using biology oriented drug synthesis (BIODS) approach: Anticancer activity, effects on cell cycle profile, caspase-3 mediated apoptosis, topoisomerase II inhibition, and antibacterial activity.

description: Small molecule binding data for protein DNA topoisomerase II, Uniprot Q02880
DOI: 10.7270/q2rj4n3p
title: BindingDB Entry 50002431: Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element.

description: Small molecule binding data for protein 3C-like proteinase (3CL-PRO) and Replicase polyprotein 1ab, Uniprot A7J8L2, K9N7C7, P0C6X7, and Q98VG9
DOI: 10.7270/q2c82cx6
title: BindingDB Entry 50002434: Small-Molecule Activator of UNC-51-Like Kinase 1 (ULK1) That Induces Cytoprotective Autophagy for Parkinson's Disease Treatment.

description: Small molecule binding data for protein Serine/threonine-protein kinase ULK1, Uniprot O75385
DOI: 10.7270/q2h134mg
title: BindingDB Entry 50002433: Design, synthesis, biological evaluation and in vivo testing of dual phosphodiesterase 5 (PDE5) and histone deacetylase 6 (HDAC6)-selective inhibitors for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase, Histone deacetylase 1, Histone deacetylase 2, Histone deacetylase 3/Nuclear receptor corepressor 2, Histone deacetylase 4, Histone deacetylase 5, Histone deacetylase 6, Histone deacetylase 8, and Histone deacetylase 9, Uniprot A0A024QZ26, A0A0S2Z4T6, O15379, O76074, O76083, P51160, P56524, Q13547, Q14432, Q6IT96, Q92769, Q9BY41, Q9UBN7, Q9UKV0, Q9UQL6, and Q9Y618
DOI: 10.7270/q23t9kvg
title: BindingDB Entry 50002436: Reviewing Hit Discovery Literature for Difficult Targets: Glutathione Transferase Omega-1 as an Example.

description: Small molecule binding data for protein 26S proteosome, Glutathione S-transferase Pi, and Glutathione transferase omega 1, Uniprot A0A0K0K1K4, A0A109NGN6, A0A140VJS6, A0A140VK43, A0A140VK44, A0A140VK45, A0A140VK46, A0A1U9X8D7, A0A384NL22, A5LHX3, E9KL30, O14818, P09211, P20618, P25786, P25787,A0A024RA52, P25788, P25789, P28062, P28065, P28066, P28070, P28072, P28074, P40306, P49720, P49721, P60900, P78417, Q6IAT9, Q8TAA3, Q99436, V9HWE9, V9HWG9, and X5CMJ9
DOI: 10.7270/q27m0bj9
title: BindingDB Entry 50002435: Structure-based design of bacterial transglycosylase inhibitors incorporating biphenyl, amine linker and 2-alkoxy-3-phosphorylpropanoate moieties.

description: Small molecule binding data for protein Penicillin-binding protein 1B, Uniprot G1C7A4
DOI: 10.7270/q2028v5x
title: BindingDB Entry 50002439: Emerging Approaches for the Identification of Protein Targets of Small Molecules - A Practitioners' Perspective.

description: Small molecule binding data for protein Adenosine receptor A3 and Putative peripheral benzodiazepine receptor-related protein, Uniprot B1AH88 and P0DMS8
DOI: 10.7270/q2qj7kw0
title: BindingDB Entry 50002442: Factor XIa Inhibitors as New Anticoagulants.

description: Small molecule binding data for protein Coagulation factor XI, Trypsin, and Tryptase delta, Uniprot P03951, P07477, P07478, P35030, Q5NV56, and Q9BZJ3
DOI: 10.7270/q2v98bpm
title: BindingDB Entry 50002441: Structure-Activity Relationships and Therapeutic Potentials of 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C, 5-hydroxytryptamine receptor 6, 5-hydroxytryptamine receptor 7, D(2) dopamine receptor, Serotonin (5-HT) receptor, and Serotonin 1 (5-HT1) receptor, Uniprot A0A024R3C5, P08908, P14416, P19327, P28223, P28335, P32305, P34969, P50406, and Q5ZGX3