cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2x06b1v
title: BindingDB Entry 50006559: Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2s75kbk
title: BindingDB Entry 50006561: Bcl-2/MDM2 Dual Inhibitors Based on Universal Pyramid-Like α-Helical Mimetics.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer, MCL1-BAK1 complex, and MDM2-MDMX, Uniprot A0A024R2B3, P10415, Q00987, and Q07820
DOI: 10.7270/q2ht2sb9
title: BindingDB Entry 50006564: Characterizing the Covalent Targets of a Small Molecule Inhibitor of the Lysine Acetyltransferase P300.

description: Small molecule binding data for protein HIF1A/p300/CREB-binding protein, Uniprot Q09472
DOI: 10.7270/q2ng4tpr
title: BindingDB Entry 50006563: Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase SMYD3 and N-lysine methyltransferase SMYD2, Uniprot Q9H7B4 and Q9NRG4
DOI: 10.7270/q2d221nq
title: BindingDB Entry 50006567: New Colchicine-Derived Triazoles and Their Influence on Cytotoxicity and Microtubule Morphology.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q24j0j4s
title: BindingDB Entry 50006574: 2,8-Diazaspiro[4.5]decan-8-yl)pyrimidin-4-amine potent CCR4 antagonists capable of inducing receptor endocytosis.

description: Small molecule binding data for protein C-C chemokine receptor type 4, Uniprot A0N0Q1 and P51679
DOI: 10.7270/q28918wj
title: BindingDB Entry 50006572: A New Series of Orally Bioavailable Chemokine Receptor 9 (CCR9) Antagonists; Possible Agents for the Treatment of Inflammatory Bowel Disease.

description: Small molecule binding data for protein C-C chemokine receptor type 9, Uniprot P51686
DOI: 10.7270/q20r9sdh
title: BindingDB Entry 50006575: Synthesis of azepino[4,5-b]indol-4-ones via MCR/free radical cyclization and in vitro-in silico studies as 5-Ht₆R ligands.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 6 and Serotonin (5-HT) receptor, Uniprot P31388 and P50406
DOI: 10.7270/q2w098zz
title: BindingDB Entry 50006576: Discovery of a series of 8-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)-2-morpholino-4-oxo-chromene-6-carboxamides as PI3Kβ/δ inhibitors for the treatment of PTEN-deficient tumours.

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, DNA-PK/Ku70/Ku85, 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, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform, and mTOR/FKBP12A/FKBP12B, Uniprot A0A024R720, A0A2K8FKV1, C1ID52, O00329, P05177, P08684, P10635, P11712, P33261, P40989, P42336, P42338, P42345, P48736, P78527, Q6GRK0, and S5RV20
DOI: 10.7270/q2rb77mh
title: BindingDB Entry 50006577: Discovery of a Selective and Potent Inhibitor of Mitogen-Activated Protein Kinase-Interacting Kinases 1 and 2 (MNK1/2) Utilizing Structure-Based Drug Design.

description: Small molecule binding data for protein CDK2/Bovine cyclin A, CDK4/CDK9, CaM kinase II, Cyclin-dependent kinase 1, MAP kinase-interacting serine/threonine-protein kinase 1/2, Rho-associated protein kinase, Serine/threonine-protein kinase pim-2, and Tyrosine-protein kinase receptor FLT3, Uniprot A0A024QYW7, A0A024R880, A0A024RB77, A0A2P9DU05, O75116, P06493, P24941, P36888, P50750, Q13557, Q9BUB5, Q9HBH9, and Q9P1W9
DOI: 10.7270/q2gt5r7c
title: BindingDB Entry 50006579: Re-exploration of the mGlu₁ PAM Ro 07-11401 scaffold: Discovery of analogs with improved CNS penetration despite steep SAR.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Metabotropic glutamate receptor, and Metabotropic glutamate receptor 1, Uniprot C1ID52, P05177, P08684, P10635, P11712, P23385, Q13255, Q6GRK0, and S5RV20
DOI: 10.7270/q2mk6gx7
title: BindingDB Entry 50006578: Plasmin inhibitors with hydrophobic amino acid-based linker between hydantoin moiety and benzimidazole scaffold enhance inhibitory activity.

description: Small molecule binding data for protein Plasminogen and Urokinase-type plasminogen activator/surface receptor, Uniprot A0A024QZM9, P00747, and P00749
DOI: 10.7270/q2c250gw
title: BindingDB Entry 50006580: Substituted Indazoles as Nav1.7 Blockers for the Treatment of Pain.

description: Small molecule binding data for protein Sodium channel alpha subunit, Sodium channel protein type 2 alpha subunit, Sodium channel protein type 5 subunit alpha, Sodium channel protein type 8 subunit alpha, and Sodium channel protein type 9 subunit alpha, Uniprot Q14524, Q15858, Q99250, Q9NY46, and Q9UQD0
DOI: 10.7270/q23j3h0d
title: BindingDB Entry 50006587: Design, synthesis and biological evaluation of 6-substituted pyrrolo[2,3-d]pyrimidines as dual inhibitors of TS and AICARFTase and as potential antitumor agents.

description: Small molecule binding data for protein Thymidylate synthase/GAR transformylase/AICAR transformylase, Uniprot P22102
DOI: 10.7270/q27947qq
title: BindingDB Entry 50006583: Design and synthesis of new potent anticancer benzothiazole amides and ureas featuring pyridylamide moiety and possessing dual B-Raf(V600E) and C-Raf kinase inhibitory activities.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, BRAF/CRAF, and RAF proto-oncogene serine/threonine-protein kinase, Uniprot L7RRS6, P04049, P15056, and P40989
DOI: 10.7270/q2zs30k0
title: BindingDB Entry 50006588: Hit-to-lead evaluation of a novel class of sphingosine 1-phosphate lyase inhibitors.

description: Small molecule binding data for protein Sphingosine-1-phosphate lyase 1, Uniprot O95470
DOI: 10.7270/q2qc06jk
title: BindingDB Entry 50006594: An evaluation of synthetic indole derivatives as inhibitors of monoamine oxidase.

description: Small molecule binding data for protein Amine oxidase (flavin-containing) A and Amine oxidase [flavin-containing] B, Uniprot P21397, P27338, and Q53YE7
DOI: 10.7270/q2v40z61
title: BindingDB Entry 50006592: Part 2. Notch-sparing γ-secretase inhibitors: The study of novel γ-amino naphthyl alcohols.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2kk9fvr
title: BindingDB Entry 50006597: Synthesis and evaluation of carbamate and aryl ether substituted pyrazinones as corticotropin releasing factor-1 (CRF₁) receptor antagonists.

description: Small molecule binding data for protein Corticotropin releasing factor receptor and Corticotropin releasing factor receptor 1, Uniprot P34998 and P35353
DOI: 10.7270/q2ft8q2j
title: BindingDB Entry 50006599: Synthesis of a dansyl-labeled inhibitor of 17β-hydroxysteroid dehydrogenase type 3 for optical imaging.

description: Small molecule binding data for protein Estradiol 17-beta-dehydrogenase 3, Uniprot P37058 and Q6FH62
DOI: 10.7270/q2b27z9p
title: BindingDB Entry 50006601: 1,6-Bis[(benzyloxy)methyl]uracil derivatives-Novel antivirals with activity against HIV-1 and influenza H1N1 virus.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q26976kb
title: BindingDB Entry 50006602: Pharmacological Targeting of AMP-Activated Protein Kinase and Opportunities for Computer-Aided Drug Design.

description: Small molecule binding data for protein 5'-AMP-activated protein kinase Complex 1 and AMPK alpha1/beta2/gamma1, Uniprot A0A024R125, A0A024RBN1, O43741, P54619, Q13131, and Q9Y478
DOI: 10.7270/q22j6fw2
title: BindingDB Entry 50006604: GroEL/ES inhibitors as potential antibiotics.

description: Small molecule binding data for protein 10 kDa chaperonin and HSP60/HSP10, Uniprot A0A024R3X4, P10809, and Q7BGE6
DOI: 10.7270/q2xw4nt3
title: BindingDB Entry 50006605: Synthesis and structure-activity relationship of 2,6-disubstituted pyridine derivatives as inhibitors of β-amyloid-42 aggregation.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2pc35d6
title: BindingDB Entry 50006608: Synthesis and evaluation of 2-pyridinylpyrimidines as inhibitors of HIV-1 structural protein assembly.

description: Small molecule binding data for protein Structural capsid protein, Uniprot Q76129
DOI: 10.7270/q2t43x4j
title: BindingDB Entry 50006606: Structure-Based Design of 1,4-Dibenzoylpiperazines as β-Catenin/B-Cell Lymphoma 9 Protein-Protein Interaction Inhibitors.

description: Small molecule binding data for protein beta-catenin-B-cell lymphoma 9 protein complex, Uniprot A0A024QYY4, A0A024R2Q3, O00512, and P35222
DOI: 10.7270/q2dv1nwv
title: BindingDB Entry 50006611: LpxC Inhibitors: Design, Synthesis, and Biological Evaluation of Oxazolidinones as Gram-negative Antibacterial Agents.

description: Small molecule binding data for protein UDP-3-O-acyl-GlcNAc deacetylase, Uniprot A0A6D2XJB8 and P0A725
DOI: 10.7270/q2jm2dn1
title: BindingDB Entry 50006609: Discovery of 1-((2R,4aR,6R,7R,7aR)-2-Isopropoxy-2-oxidodihydro-4H,6H-spiro[furo[3,2-d][1,3,2]dioxaphosphinine-7,2'-oxetan]-6-yl)pyrimidine-2,4(1H,3H)-dione (JNJ-54257099), a 3'-5'-Cyclic Phosphate Ester Prodrug of 2'-Deoxy-2'-Spirooxetane Uridine Triphosphate Useful for HCV Inhibition.

description: Small molecule binding data for protein Hepatitis C virus NS5B RNA-dependent RNA polymerase, Uniprot Q8JXU8
DOI: 10.7270/q2930x5v
title: BindingDB Entry 50006612: Design, Synthesis, and Evaluation of Thiophene[3,2-d]pyrimidine Derivatives as HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors with Significantly Improved Drug Resistance Profiles.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q25b05hd
title: BindingDB Entry 50006615: 2,3,4-Trihydroxybenzyl-hydrazide analogues as novel potent coxsackievirus B3 3C protease inhibitors.

description: Small molecule binding data for protein 3C-like proteinase (CVB3 3Cpro), Uniprot P03313
DOI: 10.7270/q21n845d
title: BindingDB Entry 50006617: Antitumor Activity of Lankacidin Group Antibiotics Is Due to Microtubule Stabilization via a Paclitaxel-like Mechanism.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P07437 and Q5SU16
DOI: 10.7270/q2ww7mrm
title: BindingDB Entry 50006618: Targeting the HSP60/10 chaperonin systems of Trypanosoma brucei as a strategy for treating African sleeping sickness.

description: Small molecule binding data for protein 10 kDa chaperonin and HSP60/HSP10, Uniprot A0A024R3X4, P10809, and Q7BGE6
DOI: 10.7270/q2s46w1m
title: BindingDB Entry 50006621: Structural optimization of pyridine-type DAPY derivatives to exploit the tolerant regions of the NNRTI binding pocket.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2hm5cg6
title: BindingDB Entry 50006624: Design, Conformation, and Crystallography of 2-Naphthyl Phenyl Ethers as Potent Anti-HIV Agents.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2nc647c
title: BindingDB Entry 50006623: Novel (2,6-difluorophenyl)(2-(phenylamino)pyrimidin-4-yl)methanones with restricted conformation as potent non-nucleoside reverse transcriptase inhibitors against HIV-1.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2cv4mrg
title: BindingDB Entry 50006626: Optimization and bioevaluation of Cdc37-derived peptides: An insight into Hsp90-Cdc37 protein-protein interaction modulators.

description: Small molecule binding data for protein Heat Shock Protein 90 (Hsp90), Uniprot A0A024RD80, K9JA46, P07900, and P08238
DOI: 10.7270/q24f1trh
title: BindingDB Entry 50006630: Covalent Guanosine Mimetic Inhibitors of G12C KRAS.

description: Small molecule binding data for protein GTPase KRas, Uniprot L7RSL8 and P01116
DOI: 10.7270/q2833w2x
title: BindingDB Entry 50006629: Substituted conformationally restricted guanidine derivatives: Probing the α2-adrenoceptors' binding pocket.

description: Small molecule binding data for protein Adrenergic receptor alpha-2, Uniprot P08913, P18089, P18825, and Q4W594
DOI: 10.7270/q20p1321
title: BindingDB Entry 50006631: Design, synthesis and in vitro biological evaluation of oligopeptides targeting E. coli type I signal peptidase (LepB).

description: Small molecule binding data for protein Signal peptidase I, Uniprot P00803
DOI: 10.7270/q2vx0kjw
title: BindingDB Entry 50006632: Synthesis and biological evaluation of deferiprone-resveratrol hybrids as antioxidants, Aβ

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2mc9313
title: BindingDB Entry 50006637: Sulfonamide-based non-alkyne LpxC inhibitors as Gram-negative antibacterial agents.

description: Small molecule binding data for protein UDP-3-O-acyl-GlcNAc deacetylase, Uniprot A0A6D2XJB8 and P0A725
DOI: 10.7270/q2r49tsg
title: BindingDB Entry 50006635: Discovery and characterization of novel indole and 7-azaindole derivatives as inhibitors of β-amyloid-42 aggregation for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2gm8b9c
title: BindingDB Entry 50006638: Cyclocurcumin, an Antivasoconstrictive Constituent of Curcuma longa (Turmeric).

description: Small molecule binding data for protein Voltage-dependent L-type calcium channel subunit alpha-1S, Uniprot Q02485
DOI: 10.7270/q2bv7knj
title: BindingDB Entry 50006639: Discovery of a Phosphoinositide 3-Kinase (PI3K) β/δ Inhibitor for the Treatment of Phosphatase and Tensin Homolog (PTEN) Deficient Tumors: Building PI3Kβ Potency in a PI3Kδ-Selective Template by Targeting Nonconserved Asp856.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, PIK3CG/PIK3R1, Phosphoinositide 3-Kinase (PI3K), delta, p110α/p85α, and p110β/p85α, Uniprot A0A024R720, A0A2K8FKV1, A0A2X0SFG1, O00329, P27986, P40989, P42336, P42338, and P48736
DOI: 10.7270/q2765jbv
title: BindingDB Entry 50006640: Binding and Proton Blockage by Amantadine Variants of the Influenza M2

description: Small molecule binding data for protein Matrix protein 2, Uniprot P0DOF5
DOI: 10.7270/q23f4sp1
title: BindingDB Entry 50006641: Thienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 1, NAD-dependent deacetylase sirtuin 2, NAD-dependent deacetylase sirtuin 3, NAD-dependent protein deacylase sirtuin-5, mitochondrial, and Sirtuin-6 (SIRT6), Uniprot A0A024QZQ1, A0A024R012, Q8IXJ6, Q8N6T7, Q96EB6, Q9NTG7, and Q9NXA8
DOI: 10.7270/q2zp4947
title: BindingDB Entry 50006642: Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EHMT1/EHMT2, Uniprot A0A024RCN9, Q96KQ7, and Q9H9B1
DOI: 10.7270/q2tx3jc2
title: BindingDB Entry 50006644: Design of a Janus Kinase 3 (JAK3) Specific Inhibitor 1-((2S,5R)-5-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-methylpiperidin-1-yl)prop-2-en-1-one (PF-06651600) Allowing for the Interrogation of JAK3 Signaling in Humans.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7), JAK1/TYK2, JAK3/JAK1, MER intracellular domain/EGFR extracellular domain chimera, Non-receptor tyrosine-protein kinase TYK2, Receptor protein-tyrosine kinase erbB-4, Receptor tyrosine-protein kinase erbB-2, SRC, TEC family kinase, Tyrosine-protein kinase BTK, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase TEC, and Tyrosine-protein kinase TXK, Uniprot A0A024R7E4, A0A024R7M7, O14733, O60674, P00533, P04626, P23458, P29597, P42680, P42681, P51451, P51813, P52333, Q06187, Q08881, Q15303, and X5DNK3
DOI: 10.7270/q2q52sm6
title: BindingDB Entry 50006646: Discovery of 1-(3-(benzyloxy)pyridin-2-yl)-3-(2-(piperazin-1-yl)ethyl)urea: A new modulator for amyloid beta-induced mitochondrial dysfunction.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q2kd21wv
title: BindingDB Entry 50006647: Synthesis and biological evaluation of fluorinated N-benzoyl and N-phenylacetoyl derivatives of 3-(4-aminophenyl)-coumarin-7-O-sulfamate as steroid sulfatase inhibitors.

description: Small molecule binding data for protein Steryl-sulfatase, Uniprot P08842
DOI: 10.7270/q2fn1960
title: BindingDB Entry 50006648: Synthesis and antiproliferative activity of a series of novel 6-substituted pyrido[3,2-d]pyrimidines as potential nonclassical lipophilic antifolates targeting dihydrofolate reductase.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot B0YJ76 and P00374
DOI: 10.7270/q29z97xg
title: BindingDB Entry 50006652: Highly Potent, Selective, and Orally Bioavailable 4-Thiazol-N-(pyridin-2-yl)pyrimidin-2-amine Cyclin-Dependent Kinases 4 and 6 Inhibitors as Anticancer Drug Candidates: Design, Synthesis, and Evaluation.

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 2 (CDK2), Cyclin-Dependent Kinase 4 (CDK4), Cyclin-Dependent Kinase 7 (CDK7), Cyclin-Dependent Kinase 9 (CDK9), Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot A0A024R880, A0A024RB77, A0A024RBB6, A0A0S2Z3F9, C1ID52, O60563, P05177, P06493, P08684, P10635, P11712, P11802, P14635, P20248, P24385, P24941, P30281, P33261, P40989, P50613, P50750, P51946, Q00534, Q6FI00, Q6GRK0, and S5RV20
DOI: 10.7270/q22f7rgr
title: BindingDB Entry 50006654: Rational Design of Autotaxin Inhibitors by Structural Evolution of Endogenous Modulators.

description: Small molecule binding data for protein Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, Uniprot Q13822
DOI: 10.7270/q2668h7x
title: BindingDB Entry 50006653: Naphthalene diimide-polyamine hybrids as antiproliferative agents: Focus on the architecture of the polyamine chains.

description: Small molecule binding data for protein Topoisomerase I/II, Uniprot P11388
DOI: 10.7270/q2xp77z0
title: BindingDB Entry 50006655: Transition State-Based Sialyltransferase Inhibitors: Mimicking Oxocarbenium Ion by Simple Amide.

description: Small molecule binding data for protein Beta-galactoside alpha-2,6-sialyltransferase 1, Uniprot P15907
DOI: 10.7270/q2sx6h7p
title: BindingDB Entry 50006656: Discovery of Novel Disruptor of Silencing Telomeric 1-Like (DOT1L) Inhibitors using a Target-Specific Scoring Function for the (S)-Adenosyl-l-methionine (SAM)-Dependent Methyltransferase Family.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase, H3 lysine-79 specific, Uniprot Q8TEK3
DOI: 10.7270/q2p55rh8
title: BindingDB Entry 50006657: Design and synthesis of novel phenyl -1, 4-beta-carboline-hybrid molecules as potential anticancer agents.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2jd50tc
title: BindingDB Entry 50006659: Targeting Bacillosamine Biosynthesis in Bacterial Pathogens: Development of Inhibitors to a Bacterial Amino-Sugar Acetyltransferase from Campylobacter jejuni.

description: Small molecule binding data for protein UDP-N-acetylbacillosamine N-acetyltransferase, Uniprot Q0P9D1
DOI: 10.7270/q29026td
title: BindingDB Entry 50006662: Synthesis and molecular docking studies of new furochromone derivatives as p38α MAPK inhibitors targeting human breast cancer MCF-7 cells.

description: Small molecule binding data for protein MAP kinase p38, Uniprot A0A024RD04, A0A024RD15, O15264, P53778, Q15759, and Q16539
DOI: 10.7270/q2dr2zh0
title: BindingDB Entry 50006661: Design and synthesis of hybrids of diarylpyrimidines and diketo acids as HIV-1 inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q21g0q81
title: BindingDB Entry 50006664: Multitargeted Imidazoles: Potential Therapeutic Leads for Alzheimer's and Other Neurodegenerative Diseases.

description: Small molecule binding data for protein Cyclooxygenase, Uniprot P35355 and Q63921
DOI: 10.7270/q2571g16
title: BindingDB Entry 50006663: Past, Current, and Future Developments of Therapeutic Agents for Treatment of Chronic Hepatitis B Virus Infection.

description: Small molecule binding data for protein Core antigen, Uniprot Q03732
DOI: 10.7270/q2wq06sq
title: BindingDB Entry 50006665: Drug-like property-driven optimization of 4-substituted 1,5-diarylanilines as potent HIV-1 non-nucleoside reverse transcriptase inhibitors against rilpivirine-resistant mutant virus.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2rx9g39
title: BindingDB Entry 50006666: Phenanthridin-6-one derivatives as the first class of non-steroidal pharmacological chaperones for Niemann-Pick disease type C1 protein.

description: Small molecule binding data for protein Niemann-Pick C1 protein, Uniprot O15118
DOI: 10.7270/q2hh6p2w
title: BindingDB Entry 50006669: Structure-based discovery of LpxC inhibitors.

description: Small molecule binding data for protein UDP-3-O-acyl-GlcNAc deacetylase and UDP-3-O-acyl-GlcNAc deacetylase (LpxC), Uniprot A0A6D2XJB8, P0A725, and P47205
DOI: 10.7270/q2n58qdb
title: BindingDB Entry 50006668: Phenylthiomethyl Ketone-Based Fragments Show Selective and Irreversible Inhibition of Enteroviral 3C Proteases.

description: Small molecule binding data for protein 3C-like proteinase (CVB3 3Cpro), Uniprot P03313
DOI: 10.7270/q2cr5xcm
title: BindingDB Entry 50006671: Combined in Vitro Cell-Based/in Silico Screening of Naturally Occurring Flavonoids and Phenolic Compounds as Potential Anti-Alzheimer Drugs.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2474dvz
title: BindingDB Entry 50006674: 3-Hydroxykynurenine, a Tryptophan Metabolite Generated during the Infection, Is Active Against

description: Small molecule binding data for protein Cytochrome P450 11A1, Uniprot P14137
DOI: 10.7270/q28055m4
title: BindingDB Entry 50006672: Searching for novel N

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.25345/c5tb8f
title: MassIVE MSV000086586 - Proximity-dependent interactome of autophagy proteins
title: Data contains LC-MS data of proximity-based biotin labeling assay (BioID) to generate the protein interaction network of autophagy-related proteins fused to FlagBirA (N-terminal tag) expressed in T-REx HEK293 cells.