cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2qc06gp
title: BindingDB Entry 50006022: Inhibiting the HIV integration process: past, present, and the future.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2v127t4
title: BindingDB Entry 50006021: Achiral pyrazinone-based inhibitors of the hepatitis C virus NS3 protease and drug-resistant variants with elongated substituents directed toward the S2 pocket.

description: Small molecule binding data for protein NS3 Protease and Protease NS3/Non-structural protein 4A (NS3/NS4A), Uniprot A0A0A7AS71,Q91RS4,A0A0A7ARQ1 and Q0ZMF1
DOI: 10.7270/q2kk9fsv
title: BindingDB Entry 50006023: Novel S1P(1) receptor agonists--part 3: from thiophenes to pyridines.

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3, Uniprot P21453 and Q99500
DOI: 10.7270/q2b27z87
title: BindingDB Entry 50006025: Drug design targeting protein-protein interactions (PPIs) using multiple ligand simultaneous docking (MLSD) and drug repositioning: discovery of raloxifene and bazedoxifene as novel inhibitors of IL-6/GP130 interface.

description: Small molecule binding data for protein Interleukin-6 receptor subunit beta, Uniprot P40189
DOI: 10.7270/q2ft8q13
title: BindingDB Entry 50006024: Discovery of spirofused piperazine and diazepane amides as selective histamine-3 antagonists with in vivo efficacy in a mouse model of cognition.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Histamine receptor (H3 and H4), Uniprot P40989 and Q9Y5N1
DOI: 10.7270/q26976jw
title: BindingDB Entry 50006027: Synthesis and anti-renal fibrosis activity of conformationally locked truncated 2-hexynyl-N(6)-substituted-(N)-methanocarba-nucleosides as A3 adenosine receptor antagonists and partial agonists.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2a and A3, and Adenosine receptor A3, Uniprot P0DMS8, P28647, P29274, P30542, and X5DNB4
DOI: 10.7270/q22j6ft5
title: BindingDB Entry 50006028: Bicyclic 1-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxamide-containing HIV-1 integrase inhibitors having high antiviral potency against cells harboring raltegravir-resistant integrase mutants.

description: Small molecule binding data for protein Integrase, Uniprot F2WR39,F2WR52,Q76353
DOI: 10.7270/q2xs5zcb
title: BindingDB Entry 50006029: High-affinity small-molecule inhibitors of the menin-mixed lineage leukemia (MLL) interaction closely mimic a natural protein-protein interaction.

description: Small molecule binding data for protein Menin/Histone-lysine N-methyltransferase MLL, Uniprot O00255
DOI: 10.7270/q2t43x2n
title: BindingDB Entry 50006030: Semi-synthesis of acylated triterpenes from olive-oil industry wastes for the development of anticancer and anti-HIV agents.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2pc35cr
title: BindingDB Entry 50006031: Imaging evaluation of 5HT2C agonists, [(11)C]WAY-163909 and [(11)C]vabicaserin, formed by Pictet-Spengler cyclization.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 2C, Uniprot P28335
DOI: 10.7270/q2dv1nvd
title: BindingDB Entry 50006034: Synthesis, biological evaluation and molecular modeling study of novel tacrine-carbazole hybrids as potential multifunctional agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P06276
DOI: 10.7270/q2jm2dmk
title: BindingDB Entry 50006032: Elucidation of structural elements for selectivity across monoamine transporters: novel 2-[(diphenylmethyl)sulfinyl]acetamide (modafinil) analogues.

description: Small molecule binding data for protein Sodium-dependent dopamine transporter and Sodium-dependent serotonin transporter, Uniprot P23977, P31645, P31652, and Q01959
DOI: 10.7270/q2930x4d
title: BindingDB Entry 50006035: Lactam sulfonamides as potent inhibitors of the Kv1.5 potassium ion channel.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2 and Voltage-gated potassium channel, Uniprot P22460 and P40989
DOI: 10.7270/q21j9drp
title: BindingDB Entry 50006037: Heat shock protein 70 inhibitors. 1. 2,5'-thiodipyrimidine and 5-(phenylthio)pyrimidine acrylamides as irreversible binders to an allosteric site on heat shock protein 70.

description: Small molecule binding data for protein Heat shock protein HSP 90-beta, Uniprot A0A024RD80 and P08238
DOI: 10.7270/q25b05fh
title: BindingDB Entry 50006036: 6-Triazolyl-substituted sulfocoumarins are potent, selective inhibitors of the tumor-associated carbonic anhydrases IX and XII.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, O43570, P00915, P00918, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q2ww7mpq
title: BindingDB Entry 50006039: Discovery and early clinical evaluation of BMS-605339, a potent and orally efficacious tripeptidic acylsulfonamide NS3 protease inhibitor for the treatment of hepatitis C virus infection.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684 and Q6GRK0
DOI: 10.7270/q2nc646x
title: BindingDB Entry 50006043: Design, synthesis and evaluation of N-substituted saccharin derivatives as selective inhibitors of tumor-associated carbonic anhydrase XII.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, O43570, P00915, P00918, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q2s46w05
title: BindingDB Entry 50006040: Discovery of 1,3,4-oxidiazole scaffold compounds as inhibitors of superoxide dismutase expression.

description: Small molecule binding data for protein Axin-1/Glycogen synthase kinase-3 beta, Uniprot P49841 and Q6FI27
DOI: 10.7270/q2hm5cfr
title: BindingDB Entry 50006044: Synthesis and evaluation of a novel class Hsp90 inhibitors containing 1-phenylpiperazine scaffold.

description: Small molecule binding data for protein Heat shock protein HSP 90-beta, Uniprot A0A024RD80 and P08238
DOI: 10.7270/q2833w01
title: BindingDB Entry 50006046: 4-Functionalized 1,3-diarylpyrazoles bearing benzenesulfonamide moiety as selective potent inhibitors of the tumor associated carbonic anhydrase isoforms IX and XII.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrases; II & IX, Uniprot A0A0S2Z3D0, O43570, P00915, P00918, Q16790, V9HW21, and V9HWE3
DOI: 10.7270/q2cv4mq1
title: BindingDB Entry 50006045: Homoisoflavonoids as potential imaging agents for β-amyloid plaques in Alzheimer's disease.

description: Small molecule binding data for protein Beta amyloid A4 protein, Uniprot A0A140VJC8 and P05067
DOI: 10.7270/q20p1304
title: BindingDB Entry 50006048: Discovery of nitropyridine derivatives as potent HIV-1 non-nucleoside reverse transcriptase inhibitors via a structure-based core refining approach.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q24b3494
title: BindingDB Entry 50006047: Benzimidazole: an emerging scaffold for analgesic and anti-inflammatory agents.

description: Small molecule binding data for protein Cannabinoid receptor 1, Cannabinoid receptor 2, Cyclooxygenase, and Prostaglandin E synthase/G/H synthase 2, Uniprot A0A024RAH7, P21554, P23219, P34972, P35354, and S5TLS4
DOI: 10.7270/q2vx0khf
title: BindingDB Entry 50006049: Celecoxib analogs bearing benzofuran moiety as cyclooxygenase-2 inhibitors: design, synthesis and evaluation as potential anti-inflammatory agents.

description: Small molecule binding data for protein Prostaglandin E synthase/G/H synthase 2 and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2mc930n
title: BindingDB Entry 50006053: Synthesis and

description: Small molecule binding data for protein D(2) dopamine receptor, D(3) dopamine receptor, D(4) dopamine receptor, and Sigma-1 receptor, Uniprot A0A024R3C5, P14416, P21917, P35462, and Q60492
DOI: 10.7270/q2r49tr1
title: BindingDB Entry 50006051: Synthesis, Activity and Metabolic Stability of Non-Ribose Containing Inhibitors of Histone Methyltransferase DOT1L.

description: Small molecule binding data for protein Histone-arginine methyltransferase CARM1, Histone-lysine N-methyltransferase SUV39H1, Histone-lysine N-methyltransferase, H3 lysine-79 specific, and Protein-arginine N-methyltransferase 1, Uniprot O43463, Q86X55, Q8TEK3, and Q99873
DOI: 10.7270/q2gm8b8x
title: BindingDB Entry 50006054: Exploring novel strategies for AIDS protozoal pathogens: α-helix mimetics targeting a key allosteric protein-protein interaction in

description: Small molecule binding data for protein Dihydrofolate Reductase (DHFR) and Dihydrofolate reductase, Uniprot B0YJ76, P00374, and Q27552
DOI: 10.7270/q2bv7kkn
title: BindingDB Entry 50006055: The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface.

description: Small molecule binding data for protein Chromobox protein homolog 7, E3 ubiquitin-protein ligase (UHRF1), Lethal(3)malignant brain tumor-like protein 1, Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3), Lysine-specific demethylase 5A/5B, MBT domain-containing protein 1 (MBTD1), PHD finger protein 23 (PHF23), and Tumor suppressor p53-binding protein 1, Uniprot A0A024R1Q2, O95931, P29375, Q05BQ5, Q12888, Q96JM7, Q96T88, Q9BUL5, and Q9Y468
DOI: 10.7270/q2736twp
title: BindingDB Entry 50006056: Novel sphingosine-containing analogues selectively inhibit sphingosine kinase (SK) isozymes, induce SK1 proteasomal degradation and reduce DNA synthesis in human pulmonary arterial smooth muscle cells.

description: Small molecule binding data for protein Sphingosine kinase 1 and Sphingosine kinase 2, Uniprot A0A024QZH5, Q53ZR5, Q9NRA0, and Q9NYA1
DOI: 10.7270/q23f4sm4
title: BindingDB Entry 50006057: Synthesis and antibacterial evaluation of anziaic acid and analogues as topoisomerase I inhibitors.

description: Small molecule binding data for protein DNA topoisomerase 1 and Topoisomerase I/II, Uniprot A0A384KHN0,A0A2S9PM60 and P11388
DOI: 10.7270/q2tx3jbm
title: BindingDB Entry 50006059: Acyl protein thioesterase inhibitors as probes of dynamic S-palmitoylation.

description: Small molecule binding data for protein Acyl-protein thioesterase 1, Acyl-protein thioesterase 2, and Protein ABHD11, Uniprot A0A140VJC9, O75608, O95372, Q6IAQ1, and Q8NFV4
DOI: 10.7270/q2zp493s
title: BindingDB Entry 50006058: Development of CBAP-BPyne, a probe for γ-secretase and presenilinase.

description: Small molecule binding data for protein Presenilin-1, Uniprot A0A024R6A3 and P49768
DOI: 10.7270/q2q52skr
title: BindingDB Entry 50006060: Development of new

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2fn1943
title: BindingDB Entry 50006063: Development of a phosphatase-resistant, L-tyrosine derived LPA1/LPA3 dual antagonist.

description: Small molecule binding data for protein Lysophosphatidic acid receptor 1, Lysophosphatidic acid receptor 1/3, and Lysophosphatidic acid receptor 1/lysophosphatidic acid receptor 3, Uniprot P61794, Q5VZX0, Q8K5E0, Q92633, and Q9UBY5
DOI: 10.7270/q2kd21vd
title: BindingDB Entry 50006062: Exploring the effect of

description: Small molecule binding data for protein Synaptic vesicular amine transporter, Uniprot Q01827
DOI: 10.7270/q29w0jft
title: BindingDB Entry 50006065: Structure-function study of gemini derivatives with two different side chains at C-20, Gemini-0072 and Gemini-0097.

description: Small molecule binding data for protein Vitamin D3 receptor A, Uniprot Q9PTN2
DOI: 10.7270/q2668h51
title: BindingDB Entry 50006066: The Synthesis and Evaluation of Dihydroquinazolin-4-ones and Quinazolin-4-ones as Thyroid Stimulating Hormone Receptor Agonists.

description: Small molecule binding data for protein Cytochrome P450 2C11 and Lutropin-choriogonadotropic hormone receptor, Uniprot P08683 and P22888
DOI: 10.7270/q22f7rf9
title: BindingDB Entry 50006067: Potential Drug Abuse Therapeutics Derived from the Hallucinogenic Natural Product Salvinorin A.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, and Mu-type opioid receptor, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q2xp77xj
title: BindingDB Entry 50006068: Non-iminosugar glucocerebrosidase small molecule chaperones.

description: Small molecule binding data for protein Somatostatin receptor type 4, Uniprot P31391
DOI: 10.7270/q2p55rgt
title: BindingDB Entry 50006071: Selective inhibition of E. coli 1-deoxy-D-xylulose-5-phosphate synthase by acetylphosphonates().

description: Small molecule binding data for protein 1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase)), Uniprot P77488
DOI: 10.7270/q2sx6h67
title: BindingDB Entry 50006069: Polyamine-based small molecule epigenetic modulators.

description: Small molecule binding data for protein Lysine-specific histone demethylase 1A, Uniprot O60341
DOI: 10.7270/q2jd50rg
title: BindingDB Entry 50006072: Structure-based optimization of the piperazino-containing 1,3-disubstituted ureas affording sub-nanomolar inhibitors of soluble epoxide hydrolase.

description: Small molecule binding data for protein EBifunctional epoxide hydrolase 2, Uniprot P34913
DOI: 10.7270/q29026rh
title: BindingDB Entry 50006077: An Amino-Benzosuberene Analogue That Inhibits Tubulin Assembly and Demonstrates Remarkable Cytotoxicity.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2dn4815
title: BindingDB Entry 50006074: The Discovery of Novel 10,11-Dihydro-5H-dibenz[b,f]azepine SIRT2 Inhibitors.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 1 and NAD-dependent deacetylase sirtuin 2, Uniprot A0A024QZQ1, Q8IXJ6, and Q96EB6
DOI: 10.7270/q2571g0r
title: BindingDB Entry 50006079: Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2).

description: Small molecule binding data for protein Aurora kinase A/Targeting protein for Xklp2, Axin-1/Glycogen synthase kinase-3 beta, Casein kinase I isoform alpha, Inhibitor of nuclear factor kappa-B kinase subunit epsilon, LIM domain kinase 1, Myosin light chain kinase, smooth muscle, Myotonin-protein kinase, PAK 1/CDC42, Protein kinase N1, RAC-alpha serine/threonine-protein kinase AKT1, Rho-associated protein kinase, Ribosomal protein S6 kinase (P70S6K), Ribosomal protein S6 kinase alpha 1, Serine/threonine-protein kinase MRCK-A, Serine/threonine-protein kinase Sgk1, Serine/threonine-protein kinase TBK1, Tyrosine kinase non-receptor protein 2, and Tyrosine-protein kinase JAK2, Uniprot A0A024R5P0, A0A2P9DU05, B0LPE5, E5KR06, O00141, O14965, O60674, O75116, P23443, P31749, P48729, P49841, P53667, Q07912, Q09013, Q13153, Q13464, Q14164, Q15418, Q15746, Q16512, Q5VT25, Q6FI27, and Q9UHD2
DOI: 10.7270/q2wq06r8
title: BindingDB Entry 50006081: Synthesis and evaluation of stable substrate analogs as potential modulators of cyclodiphosphate synthase IspF.

description: Small molecule binding data for protein 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF), Uniprot P62617
DOI: 10.7270/q21g0q7k
title: BindingDB Entry 50006080: Discovery and activity profiling of thailandepsins A through F, potent histone deacetylase inhibitors, from

description: Small molecule binding data for protein Cereblon/Histone deacetylase 1, Cereblon/Histone deacetylase 4, and Cereblon/Histone deacetylase 6, Uniprot A0A024QZ26, P56524, Q13547, Q6IT96, and Q9UBN7
DOI: 10.7270/q2hd7zn5
title: BindingDB Entry 50006084: Prenyltransferase Inhibitors: Treating Human Ailments from Cancer to Parasitic Infections.

description: Small molecule binding data for protein Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) and Protein Farnesyltransferase (PFT), Uniprot A0A384MEJ5, P49354, P49356, and P53609
DOI: 10.7270/q2n58qbf
title: BindingDB Entry 50006083: Synthesis and

description: Small molecule binding data for protein 3',5'-cyclic phosphodiesterase and Phosphodiesterase 3 and 5 (PDE3 and PDE5), Uniprot A0A1B1UZR0, P27815, Q07343, Q13370, Q14432, Q9Y233, and X5DNX5
DOI: 10.7270/q2rx9g1d
title: BindingDB Entry 50006082: The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains.

description: Small molecule binding data for protein Bromodomain-containing protein 4, Uniprot O60885
DOI: 10.7270/q2cr5x9q
title: BindingDB Entry 50006086: Inhibition of Ras-Effector Interaction by Cyclic Peptides.

description: Small molecule binding data for protein GTPase KRas, Uniprot L7RSL8 and P01116
DOI: 10.7270/q2474dth
title: BindingDB Entry 50006090: A Bivalent Ligand Targeting the Putative Mu Opioid Receptor and Chemokine Receptor CCR5 Heterodimers: Binding Affinity versus Functional Activities.

description: Small molecule binding data for protein C-C chemokine receptor type 5, CCR5/mu opioid receptor complex, and Mu-type opioid receptor, Uniprot G7NY33, P35372, P51681, P61814, and Q38L21
DOI: 10.7270/q28055kp
title: BindingDB Entry 50006088: Design of symmetrical and nonsymmetrical

description: Small molecule binding data for protein Choline kinase alpha, Uniprot P35790
DOI: 10.7270/q20g3p36
title: BindingDB Entry 50006091: 4-Alkyloxyimino-cytosine nucleotides: tethering approaches to molecular probes for the P2Y

description: Small molecule binding data for protein Purinergic receptor P2Y2, Pyrimidinergic receptor P2Y4, and Pyrimidinergic receptor P2Y6, Uniprot A0A024R5I9, P41231, P51582, and Q15077
DOI: 10.7270/q2vq35mw
title: BindingDB Entry 50006092: Homodimers of the Antiviral Abacavir as Modulators of P-glycoprotein Transport in Cell Culture: Probing Tether Length.

description: Small molecule binding data for protein Multidrug resistance protein 1/Multidrug resistance associated protein 1, Uniprot A4D1D2 and P08183
DOI: 10.7270/q2qz2dxm
title: BindingDB Entry 50006093: N-(2-Cyanoethyl) derivatives of meperidine, ketobemidone, and a potent 6,7-benzomorphan.

description: Small molecule binding data for protein Opioid receptor, Uniprot P33533, P33535, and P34975
DOI: 10.7270/q2m61p72
title: BindingDB Entry 50006094: Deoxymorphines: role of the phenolic hydroxyl in antinociception and opiate receptor interactions.

description: Small molecule binding data for protein Opioid receptor, Uniprot P33533, P33535, and P34975
DOI: 10.6084/m9.figshare.13371269
title: Table S1

description: Table S1<br>
DOI: 10.6084/m9.figshare.13371269.v1
title: Table S1

description: Table S1<br>
DOI: 10.7270/q2br8w5b
title: BindingDB Entry 50006097: Fused heterocyclic compounds bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 1: design, synthesis and biological evaluation of novel 5,7-disubstituted pyrazolo[1,5-a]pyrimidine derivatives.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2gh9mx3
title: BindingDB Entry 50006096: Paradoxical effects of N-cyanoalkyl substituents upon the activities of several classes of opioids.

description: Small molecule binding data for protein Opioid receptor, Uniprot P33533, P33535, and P34975
DOI: 10.7270/q27084dv
title: BindingDB Entry 50006099: Design and synthesis of high affinity inhibitors of Plasmodium falciparum and Plasmodium vivax N-myristoyltransferases directed by ligand efficiency dependent lipophilicity (LELP).

description: Small molecule binding data for protein Glycylpeptide N-tetradecanoyltransferase, Uniprot Q8ILW6,A0A144A366
DOI: 10.7270/q2377cp4
title: BindingDB Entry 50006100: Oseltamivir analogues bearing N-substituted guanidines as potent neuraminidase inhibitors.

description: Small molecule binding data for protein Neuraminidase
DOI: 10.7270/q2zg6w6v
title: BindingDB Entry 50006101: New pyrazolobenzothiazine derivatives as hepatitis C virus NS5B polymerase palm site I inhibitors.

description: Small molecule binding data for protein RNA-directed RNA polymerase, Uniprot O39930
DOI: 10.7270/q2tq64jd
title: BindingDB Entry 50006102: Antimitotic and vascular disrupting agents: 2-hydroxy-3,4,5-trimethoxybenzophenones.

description: Small molecule binding data for protein Similar to alpha-tubulin isoform 1, Uniprot Q862L2
DOI: 10.7270/q2k93bh0
title: BindingDB Entry 50006104: Structural modifications of CH(OH)-DAPYs as new HIV-1 non-nucleoside reverse transcriptase inhibitors.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2q24368
title: BindingDB Entry 50006103: Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase.

description: Small molecule binding data for protein BRAF/CRAF, Uniprot P15056
DOI: 10.7270/q2fj2ks8
title: BindingDB Entry 50006105: Effect of prime-site sequence of retro-inverso-modified HTLV-1 protease inhibitor.

description: Small molecule binding data for protein Protease, Uniprot Q82134
DOI: 10.7270/q29s1v1h
title: BindingDB Entry 50006106: Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.

description: Small molecule binding data for protein 3-dehydroquinate dehydratase, Uniprot Q48255
DOI: 10.7270/q261139g
title: BindingDB Entry 50006108: Rapid identification of Keap1-Nrf2 small-molecule inhibitors through structure-based virtual screening and hit-based substructure search.

description: Small molecule binding data for protein Nuclear factor erythroid 2-related factor 2, Uniprot Q16236
DOI: 10.7270/q2280bkr
title: BindingDB Entry 50006110: Spiromastixones A-O, antibacterial chlorodepsidones from a deep-sea-derived Spiromastix sp. fungus.

description: Small molecule binding data for protein Cytochrome P450 11A1, Uniprot P14137
DOI: 10.7270/q2xg9v4c
title: BindingDB Entry 50006111: Targeting Staphylococcus aureus quorum sensing with nonpeptidic small molecule inhibitors.

description: Small molecule binding data for protein Receptor-histidine kinase AgrC, Uniprot O07911
DOI: 10.7270/q2p2723b
title: BindingDB Entry 50006113: 4-(p-Bromophenyl)-4-(dimethylamino)-1-phenethylcyclohexanol, an extremely potent respresentative of a new analgesic series.

description: Small molecule binding data for protein Opioid receptors; mu/kappa/delta, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q2st7ssh
title: BindingDB Entry 50006112: The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.

description: Small molecule binding data for protein 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, Uniprot P26281
DOI: 10.7270/q2dj5jmf
title: BindingDB Entry 50006115: Stereochemical studies on medicinal agents. 23. Synthesis and biological evaluation of 6-amino derivatives of naloxone and naltrexone.

description: Small molecule binding data for protein Opioid receptors; mu/kappa/delta, Uniprot P35372, P41143, and P41145
DOI: 10.7270/q2j969cm
title: BindingDB Entry 50006114: Quantum chemical studies of N-substituent variation in the oxymorphone series of opiate narcotics.

description: Small molecule binding data for protein Opioid receptor, Uniprot P33533, P33535, and P34975
DOI: 10.7270/q28s4swq
title: BindingDB Entry 50006116: Folate antagonists. 15. 2,3-Diamino-6-(2-naphthylsulfonyl)quinazoline and related 2,4-diamino-6-[(phenyl and naphthyl)sulfinyl and sulfonyl]quinazolines, a potent new class of antimetabolites with phenomenal antimalarial activity.

description: Small molecule binding data for protein Cytochrome P450 11A1, Uniprot P14137
DOI: 10.7270/q251426j
title: BindingDB Entry 50006118: Absolute configuration of glycerol derivatives. 4. Synthesis and pharmacological activity of chiral 2-alkylaminomethylbenzodioxans, competitive alpha-adrenergic antagonists.

description: Small molecule binding data for protein Adrenergic receptor alpha, Uniprot P15823, P19328, P22086, P23944, and P43140