cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2445qb9
title: BindingDB Entry 50004513: 6-Benzoyl-3-hydroxypyrimidine-2,4-diones as dual inhibitors of HIV reverse transcriptase and integrase.

description: Small molecule binding data for protein Integrase and Reverse transcriptase, Uniprot F2WR39,F2WR52,Q76353 and Q9WKE8
DOI: 10.7270/q2qz2dst
title: BindingDB Entry 50004516: Pentacycloundecane-based inhibitors of wild-type C-South African HIV-protease.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2vq35hj
title: BindingDB Entry 50004515: Alkyl piperidine and piperazine hydroxamic acids as HDAC inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2gf0x9n
title: BindingDB Entry 50004518: Synthesis of 9-substituted derivatives of berberine as anti-HIV agents.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2m61p2t
title: BindingDB Entry 50004517: Synthesis and structure-activity relationship of N-(2-arylethyl) isoquinoline derivatives as human scavenger receptor CD36 antagonists.

description: Small molecule binding data for protein Platelet glycoprotein 4, Uniprot A4D1B1 and P16671
DOI: 10.7270/q26w9dxx
title: BindingDB Entry 50004520: Novel analogues of ketamine and phencyclidine as NMDA receptor antagonists.

description: Small molecule binding data for protein GluN1/GluN2B NMDA receptor and NR1/NR2A, Uniprot Q05586, Q12879, Q13224, and Q547U9
DOI: 10.7270/q2bp05mr
title: BindingDB Entry 50004519: Structure-activity relationship of 2,4,5-trioxoimidazolidines as inhibitors of thymidine phosphorylase.

description: Small molecule binding data for protein Thymidine Phosphorylase (TP), Uniprot P07650
DOI: 10.7270/q2377cjb
title: BindingDB Entry 50004521: Sargachromanols as inhibitors of Na+/K+ ATPase and isocitrate lyase.

description: Small molecule binding data for protein Isocitrate lyase, Uniprot Q9P8Q7
DOI: 10.7270/q2zg6w3h
title: BindingDB Entry 50004522: Indolylarylsulfones as HIV-1 non-nucleoside reverse transcriptase inhibitors: new cyclic substituents at indole-2-carboxamide.

description: Small molecule binding data for protein Reverse Transcriptase and Reverse transcriptase, Uniprot Q9WJQ2 and Q9WKE8
DOI: 10.7270/q2pz5cpw
title: BindingDB Entry 50004524: Crystal structure of tert-butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in complex with HIV-1 reverse transcriptase (RT) redefines the elastic limits of the non-nucleoside inhibitor-binding pocket.

description: Small molecule binding data for protein Reverse Transcriptase and Reverse transcriptase, Uniprot Q9WJQ2 and Q9WKE8
DOI: 10.7270/q2tq64dm
title: BindingDB Entry 50004523: Design, synthesis and biological activity of thiazolidine-4-carboxylic acid derivatives as novel influenza neuraminidase inhibitors.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2ff3w75
title: BindingDB Entry 50004527: Design, synthesis, and in vivo characterization of a novel series of tetralin amino imidazoles as γ-secretase inhibitors: discovery of PF-3084014.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2k64mx1
title: BindingDB Entry 50004525: Diamide amino-imidazoles: a novel series of γ-secretase inhibitors for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q29s1tvv
title: BindingDB Entry 50004528: Synthesis, biological evaluation and molecular modeling studies of quinolonyl diketo acid derivatives: new structural insight into the HIV-1 integrase inhibition.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q261135p
title: BindingDB Entry 50004529: Glycoglycerolipid analogues inhibit PKC translocation to the plasma membrane and downstream signaling pathways in PMA-treated fibroblasts and human glioblastoma cells, U87MG.

description: Small molecule binding data for protein Protein kinase C (PKC), Uniprot A0A024R328, L7RSM7, L7RTI5, O94806, P05129, P05771, P17252, P24723, P41743, Q02156, Q04759, Q05513, Q05655, and Q15139
DOI: 10.7270/q2280bgd
title: BindingDB Entry 50004530: SPF32629A and SPF32629B: enantioselective synthesis, determination of absolute configuration, cytotoxicity and antibacterial evaluation.

description: Small molecule binding data for protein Chymase, Uniprot P23946
DOI: 10.7270/q2xg9v0k
title: BindingDB Entry 50004531: Identification of chemicals to inhibit the kinase activity of leucine-rich repeat kinase 2 (LRRK2), a Parkinson's disease-associated protein.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2, Uniprot Q5S007
DOI: 10.7270/q2nz8bgm
title: BindingDB Entry 50004533: Structure-activity relationship studies of novel 3-oxazolidinedione-6-naphthyl-2-pyridinones as potent and orally bioavailable EP3 receptor antagonists.

description: Small molecule binding data for protein Prostaglandin E2 receptor, Uniprot P43115
DOI: 10.7270/q2sq937s
title: BindingDB Entry 50004532: SAR studies of pyridazinone derivatives as novel glucan synthase inhibitors.

description: Small molecule binding data for protein 1,3-beta-glucan synthase, Uniprot O13428
DOI: 10.7270/q2dj5jf6
title: BindingDB Entry 50004535: Design and synthesis of potent and selective aldose reductase inhibitors based on pyridylthiadiazine scaffold.

description: Small molecule binding data for protein Aldose reductase, Uniprot P07943
DOI: 10.7270/q2j67ksn
title: BindingDB Entry 50004534: Platensimycin and platencin congeners from Streptomyces platensis.

description: Small molecule binding data for protein 3-oxoacyl-[acyl-carrier-protein] synthase 2, Uniprot Q5TKS0
DOI: 10.7270/q28s4srx
title: BindingDB Entry 50004536: Exploration of the activity of 7-pyrrolidino-8-methoxyisothiazoloquinolones against methicillin-resistant Staphylococcus aureus (MRSA).

description: Small molecule binding data for protein DNA Gyrase and DNA Gyrase Subunit A, Uniprot A0A068A4Y4, P0A0K8, and P20831
DOI: 10.7270/q2514236
title: BindingDB Entry 50004537: Design and synthesis of novel N-hydroxy-dihydronaphthyridinones as potent and orally bioavailable HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q21839cg
title: BindingDB Entry 50004538: Aromatic radiofluorination and biological evaluation of 2-aryl-6-[18F]fluorobenzothiazoles as a potential positron emission tomography imaging probe for β-amyloid plaques.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2wh2stw
title: BindingDB Entry 50004539: Synthesis and biological evaluation of 2,4,5-substituted pyrimidines as a new class of tubulin polymerization inhibitors.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2rr222h
title: BindingDB Entry 50004540: Development of tricyclic hydroxy-1H-pyrrolopyridine-trione containing HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2n019cj
title: BindingDB Entry 50004541: Asymmetric synthesis and biological evaluations of (+)- and (-)-6-dimethoxymethyl-1,4-dihydropyridine-3-carboxylic acid derivatives blocking N-type calcium channels.

description: Small molecule binding data for protein Voltage-dependent L-type calcium channel subunit alpha-1S, Uniprot Q02485
DOI: 10.7270/q2h99820
title: BindingDB Entry 50004542: Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone.

description: Small molecule binding data for protein Heat Shock Protein 90 (Hsp90), Uniprot A0A024RD80, K9JA46, P07900, and P08238
DOI: 10.7270/q2cj8hcq
title: BindingDB Entry 50004543: HCV-NS3/4A protease inhibitory iridoid glucosides and dimeric foliamenthoic acid derivatives from Anarrhinum orientale.

description: Small molecule binding data for protein Trypsin, Uniprot P07477, P07478, P35030, and Q5NV56
DOI: 10.7270/q24170xz
title: BindingDB Entry 50004545: Exploring molecular shape analysis of styrylquinoline derivatives as HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2086856
title: BindingDB Entry 50004546: Novel 3alpha-methoxyserrat-14-en-21beta-ol (PJ-1) and 3beta-methoxyserrat-14-en-21beta-ol (PJ-2)-curcumin, kojic acid, quercetin, and baicalein conjugates as HIV agents.

description: Small molecule binding data for protein Protease and Reverse transcriptase, Uniprot Q9WKE8 and Q9YQ12
DOI: 10.7270/q2qr5101
title: BindingDB Entry 50004548: Synthesis and evaluation of highly potent GABA(A) receptor antagonists based on gabazine (SR-95531).

description: Small molecule binding data for protein GABA receptor alpha-1/beta-2/gamma-2 subunit, Uniprot P14867, P18507, and P47870
DOI: 10.7270/q2vh5rph
title: BindingDB Entry 50004547: Pyridazine-derived γ-secretase modulators.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2m32zmn
title: BindingDB Entry 50004549: Synthesis, evaluation and metabolic studies of radiotracers containing a 4-(4-[18F]-fluorobenzyl)piperidin-1-yl moiety for the PET imaging of NR2B NMDA receptors.

description: Small molecule binding data for protein GluN1/GluN2B NMDA receptor, Uniprot Q05586 and Q13224
DOI: 10.7270/q2gb26xr
title: BindingDB Entry 50004550: Gambogic acid, a natural product inhibitor of Hsp90.

description: Small molecule binding data for protein Heat Shock Protein 90 (Hsp90), Uniprot A0A024RD80, K9JA46, P07900, and P08238
DOI: 10.7270/q26t0qh5
title: BindingDB Entry 50004552: Synthesis, activity, and structural analysis of novel α-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2bk1g7w
title: BindingDB Entry 50004551: N-benzoylated phenoxazines and phenothiazines: synthesis, antiproliferative activity, and inhibition of tubulin polymerization.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2319zq9
title: BindingDB Entry 50004553: Enantioselective binding of second generation pyrrolobenzoxazepinones to the catalytic ternary complex of HIV-1 RT wild-type and L100I and K103N drug resistant mutants.

description: Small molecule binding data for protein Reverse Transcriptase and Reverse transcriptase, Uniprot Q9WJQ2 and Q9WKE8
DOI: 10.7270/q2z89g7d
title: BindingDB Entry 50004554: Synthesis and identification of new 4-arylidene curcumin analogues as potential anticancer agents targeting nuclear factor-κB signaling pathway.

description: Small molecule binding data for protein I-kappa-B Kinase 1 (IKK-alpha)/I-kappa-B Kinase 2 (IKK-beta)/NF-kappa-B essential modulator, Uniprot O14920, O15111, and Q9Y6K9
DOI: 10.7270/q2th8qj4
title: BindingDB Entry 50004555: Biaryl ethers as potent allosteric inhibitors of reverse transcriptase and its key mutant viruses: aryl substituted pyrazole as a surrogate for the pyrazolopyridine motif.

description: Small molecule binding data for protein Reverse Transcriptase and Reverse transcriptase, Uniprot Q9WJQ2 and Q9WKE8
DOI: 10.7270/q2pv6p6p
title: BindingDB Entry 50004556: Structure-based optimization of click-based histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2k35xhq
title: BindingDB Entry 50004557: Synthesis and biological evaluation of novel 5-alkyl-2-arylthio-6-((3,4-dihydroquinolin-1(2H)-yl)methyl)pyrimidin-4(3H)-ones as potent non-nucleoside HIV-1 reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2fb55sc
title: BindingDB Entry 50004558: Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking.

description: Small molecule binding data for protein Beta-glucuronidase, Uniprot A3KMY8
DOI: 10.7270/q29k4f22
title: BindingDB Entry 50004559: Imidazo[1,2-a]pyridin-3-amines as potential HIV-1 non-nucleoside reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q25t3p9w
title: BindingDB Entry 50004560: Pyridine-derived γ-secretase modulators.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2222xkg
title: BindingDB Entry 50004561: Phenylimino-10H-anthracen-9-ones as novel antimicrotubule agents-synthesis, antiproliferative activity and inhibition of tubulin polymerization.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2x92f41
title: BindingDB Entry 50004562: NSAID-derived γ-secretase modulation requires an acidic moiety on the carbazole scaffold.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2sn0ctm
title: BindingDB Entry 50004563: Ethyl malonate amides: a diketo acid offspring fragment for HIV integrase inhibition.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2nv9n46
title: BindingDB Entry 50004564: Design of HIV-1 integrase inhibitors targeting the catalytic domain as well as its interaction with LEDGF/p75: a scaffold hopping approach using salicylate and catechol groups.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2j38wf7
title: BindingDB Entry 50004565: Intramolecular ion-pair prodrugs of zanamivir and guanidino-oseltamivir.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2db84qw
title: BindingDB Entry 50004567: Design of HIV-1 protease inhibitors with C3-substituted hexahydrocyclopentafuranyl urethanes as P2-ligands: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q28k7cx8
title: BindingDB Entry 50004568: Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships.

description: Small molecule binding data for protein BRAF/CRAF, Uniprot P15056
DOI: 10.7270/q24t6n6z
title: BindingDB Entry 50004569: 4-Quinazolinyloxy-diaryl ureas as novel BRAFV600E inhibitors.

description: Small molecule binding data for protein BRAF/CRAF, Uniprot P15056
DOI: 10.7270/q2125wh0
title: BindingDB Entry 50004570: Sulfonamides as a new scaffold for hypoxia inducible factor pathway inhibitors.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814
DOI: 10.7270/q2wd43dz
title: BindingDB Entry 50004571: Synthesis and structural studies of pentacycloundecane-based HIV-1 PR inhibitors: a hybrid 2D NMR and docking/QM/MM/MD approach.

description: Small molecule binding data for protein HIV-1 protease, Uniprot O90781
DOI: 10.7270/q2rn3bqp
title: BindingDB Entry 50004572: Synthesis, antiviral activity, cytotoxicity and cellular pharmacology of l-3'-azido-2',3'-dideoxypurine nucleosides.

description: Small molecule binding data for protein Reverse Transcriptase and Reverse transcriptase, Uniprot Q9WJQ2 and Q9WKE8
DOI: 10.7270/q2h41v8z
title: BindingDB Entry 50004574: Arylazolylthioacetanilide. Part 8: Design, synthesis and biological evaluation of novel 2-(2-(2,4-dichlorophenyl)-2H-1,2,4-triazol-3-ylthio)-N-arylacetamides as potent HIV-1 inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2mw2m0c
title: BindingDB Entry 50004573: Acyclic nucleoside thiophosphonates as potent inhibitors of HIV and HBV replication.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q27m0bsf
title: BindingDB Entry 50004576: Design, synthesis and structure-activity relationship of novel [3.3.1] bicyclic sulfonamide-pyrazoles as potent γ-secretase inhibitors.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2cc13h5
title: BindingDB Entry 50004575: Novel diarylpyridinones, diarylpyridazinones and diarylphthalazinones as potential HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs).

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q23t9m31
title: BindingDB Entry 50004577: Synthesis, biological evaluation and molecular docking studies of 1,3,4-thiadiazole derivatives containing 1,4-benzodioxan as potential antitumor agents.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Uniprot Q05397
DOI: 10.7270/q2057jrg
title: BindingDB Entry 50004578: 1-[2-(2-Benzoyl- and 2-benzylphenoxy)ethyl]uracils as potent anti-HIV-1 agents.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2vd7291
title: BindingDB Entry 50004579: Design, synthesis, and X-ray crystallographic analysis of a novel class of HIV-1 protease inhibitors.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2qn69mr
title: BindingDB Entry 50004580: Synthesis and biological evaluation of phenstatin metabolites.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2kw5jvk
title: BindingDB Entry 50004581: Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2α and elongation factor eEF2.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814
DOI: 10.7270/q2g44t34
title: BindingDB Entry 50004582: 4-N-Hydroxy-4-[1-(sulfonyl)piperidin-4-yl]-butyramides as HDAC inhibitors.

description: Small molecule binding data for protein Histone deacetylase, Uniprot A0A024QZ26, O15379, P56524, Q13547, Q6IT96, Q8WUI4, Q92769, Q969S8, Q96DB2, Q9BY41, Q9UBN7, Q9UKV0, and Q9UQL6
DOI: 10.7270/q2bc42cs
title: BindingDB Entry 50004583: Rational design of 2-pyrrolinones as inhibitors of HIV-1 integrase.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q26m39ph
title: BindingDB Entry 50004584: Synthesis and kinetic testing of new inhibitors for a metallo-β-lactamase from Klebsiella pneumonia and Pseudomonas aeruginosa.

description: Small molecule binding data for protein Metallo-beta-lactamase type 2, Uniprot P52699 and Q7DHD4
DOI: 10.7270/q22z18ch
title: BindingDB Entry 50004585: Combining symmetry elements results in potent naphthyridinone (NTD) HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2z60rxk
title: BindingDB Entry 50004586: 1,1-Diarylalkenes as anticancer agents: dual inhibitors of tubulin polymerization and phosphodiesterase 4.

description: Small molecule binding data for protein Phosphodiesterase 4, Uniprot A0A140VJR0, P27815, Q07343, Q08493, Q08499, and X5DNX5
DOI: 10.7270/q2pn98gc
title: BindingDB Entry 50004588: Shishicrellastatins, inhibitors of cathepsin B, from the marine sponge Crella (Yvesia) spinulata.

description: Small molecule binding data for protein Cathepsin B, Uniprot P07688
DOI: 10.7270/q2tf016n
title: BindingDB Entry 50004587: Aminoacyl-tRNA synthetase inhibitors as potential antibiotics.

description: Small molecule binding data for protein tRNA synthetase (IleRS), Uniprot P00956
DOI: 10.7270/q2jw8hq6
title: BindingDB Entry 50004589: Metabolism-directed design of oxetane-containing arylsulfonamide derivatives as γ-secretase inhibitors.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2f47s06
title: BindingDB Entry 50004590: Lipophosphonoxins: new modular molecular structures with significant antibacterial properties.

description: Small molecule binding data for protein Phospho-N-acetylmuramoyl-pentapeptide-transferase, Uniprot P9WMW7
DOI: 10.7270/q25q4zz2
title: BindingDB Entry 50004592: Design and synthesis of pyridone inhibitors of non-nucleoside reverse transcriptase.

description: Small molecule binding data for protein Reverse Transcriptase, Uniprot Q9WJQ2
DOI: 10.7270/q29g5qnb
title: BindingDB Entry 50004591: Structure-based design, synthesis, and evaluation of peptide-mimetic SARS 3CL protease inhibitors.

description: Small molecule binding data for protein Chymotrypsin-like protease CTRL-1, Uniprot A0A024R6Z5 and P40313
DOI: 10.7270/q21z4791
title: BindingDB Entry 50004593: Synthesis, structure-activity relationships, and mechanism of action of anti-HIV-1 lamellarin α 20-sulfate analogues.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2x63qtn
title: BindingDB Entry 50004594: Synthesis and in vitro evaluation of fluorinated styryl benzazoles as amyloid-probes.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q2np278n
title: BindingDB Entry 50004596: Design and synthesis of novel β-diketo derivatives as HIV-1 integrase inhibitors.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2sf301t
title: BindingDB Entry 50004595: Synthesis, biological evaluation and molecular modeling of 1,2,3-triazole analogs of combretastatin A-1.

description: Small molecule binding data for protein Tubulin beta chain, Uniprot P02554
DOI: 10.7270/q2hx1gjx
title: BindingDB Entry 50004597: Bisubstrate analogue inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: New design with improved properties.

description: Small molecule binding data for protein 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, Uniprot P26281
DOI: 10.7270/q2d79f7p
title: BindingDB Entry 50004598: 3-mercapto-1,2,4-triazoles and N-acylated thiosemicarbazides as metallo-β-lactamase inhibitors.

description: Small molecule binding data for protein Metallo-beta-lactamase type 2, Uniprot P52699 and Q7DHD4
DOI: 10.7270/q24q7xv4
title: BindingDB Entry 50004600: Synthesis and SAR of inhibitors of protein kinase CK2: novel tricyclic quinoline analogs.

description: Small molecule binding data for protein Casein kinase II alpha'/ beta, Uniprot N0E4C7, P19784, and P67870
DOI: 10.7270/q28g8pjd
title: BindingDB Entry 50004599: Fused thiophene derivatives as MEK inhibitors.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase; MEK1/2, Uniprot A4QPA9, P36507, and Q02750
DOI: 10.7270/q20z7646
title: BindingDB Entry 50004601: Structure-activity studies of diazabicyclo[3.3.0]octane-substituted pyrazines and pyridines as potent α4β2 nicotinic acetylcholine receptor ligands.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483 and P12390
DOI: 10.7270/q2w66pmc
title: BindingDB Entry 50004602: Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.

description: Small molecule binding data for protein Reverse Transcriptase, Uniprot Q9WJQ2
DOI: 10.7270/q2rf5xv6
title: BindingDB Entry 50004603: Design and synthesis of novel small-molecule inhibitors of the hypoxia inducible factor pathway.

description: Small molecule binding data for protein Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha, Uniprot D0VY79, Q16665, and Q99814