cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2gq6wgh
title: BindingDB Entry 6764: Substituted (E)-N′-(1-phenylethylidene)benzohydrazide analogs as histone demethylase inhibitors

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Lysine-specific histone demethylase 1A, Uniprot O60341, P21397, and P27338
DOI: 10.7270/q2h41q89
title: BindingDB Entry 8051: Rational design of broad spectrum antibacterial activity based on a clinically relevant enoyl-acyl carrier protein (ACP) reductase inhibitor.

description: Small molecule binding data for protein Enoyl-ACP Reductase (FabI) and NADPH-dependent enoyl-ACP reductase (FabI), Uniprot P0AEK4 and Q2FZQ3
DOI: 10.7270/q2jh3k0x
title: BindingDB Entry 7378: Substituted oxadiazole compounds

description: Small molecule binding data for protein Sphingosine 1-phosphate receptor and Sphingosine 1-phosphate receptor 3, Uniprot P21453 and Q99500
DOI: 10.7270/q2mg7n7p
title: BindingDB Entry 6763: Selective androgen receptor modulators

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2mw2g0q
title: BindingDB Entry 8050: Inhibition of the ribonuclease H activity of HIV-1 reverse transcriptase by GSK5750 correlates with slow enzyme-inhibitor dissociation.

description: Small molecule binding data for protein Gag-Pol polyprotein, Uniprot P04585
DOI: 10.7270/q2p849ps
title: BindingDB Entry 7377: Identification of novel acetylcholinesterase inhibitors: Indolopyrazoline derivatives and molecular docking studies.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2q81bsq
title: BindingDB Entry 6770: Resorcinol derivatives as HSP90 inhibitors

description: Small molecule binding data for protein Heat shock protein HSP90, Uniprot P07900
DOI: 10.7270/q2rn36q1
title: BindingDB Entry 8049: 5-amino-oxazepine and 5-amino-thiazepane compounds as beta secretase antagonists and methods of use

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2sx6c1b
title: BindingDB Entry 7376: A Fungal-Selective Cytochrome bc1 Inhibitor Impairs Virulence and Prevents the Evolution of Drug Resistance.

description: Small molecule binding data for protein Cytochrome b, Uniprot P00156
DOI: 10.7270/q2v123hf
title: BindingDB Entry 6769: Compositions and methods for treatment of leukemia

description: Small molecule binding data for protein Menin, Uniprot O00255
DOI: 10.7270/q2w094n8
title: BindingDB Entry 6761: Amide, urea or sulfone amide linked benzothiazole inhibitors of endothelial lipase

description: Small molecule binding data for protein Endothelial lipase (EL) and Hepatic Lipase (HL), Uniprot P11150 and Q9Y5X9
DOI: 10.7270/q2wd3zfc
title: BindingDB Entry 8048: Benzodioxole derivative and preparation method and use thereof

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P21836
DOI: 10.7270/q2xp73q6
title: BindingDB Entry 7375: New cholinesterase inhibitors for Alzheimer's disease: Structure Activity Studies (SARs) and molecular docking of isoquinolone and azepanone derivatives.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q20g3hzb
title: BindingDB Entry 7390: 2,5-Diaryloxadiazoles and their precursors as novel inhibitors of cathepsins B, H and L.

description: Small molecule binding data for protein Cathepsin B, Cathepsin H, and Cathepsin L, Uniprot A0A060INS8
DOI: 10.7270/q21g0k2p
title: BindingDB Entry 7382: Substituted quinazolines as serine/threonine kinase inhibitors

description: Small molecule binding data for protein MAP kinase ERK2
DOI: 10.7270/q22j69kc
title: BindingDB Entry 6775: The adenosine receptor affinities and monoamine oxidase B inhibitory properties of sulfanylphthalimide analogues.

description: Small molecule binding data for protein Adenosine Receptors A2a (A2a), Adenosine receptor A1, and Amine oxidase [flavin-containing] B, Uniprot P25099, P27338, and P30543
DOI: 10.7270/q22z14d9
title: BindingDB Entry 8063: Exploiting sp(2) -Hybridisation in the Development of Potent 1,5-α-l-Arabinanase Inhibitors.

description: Small molecule binding data for protein Exo-1,5-α-L-arabinofuranobiosidase (Arb93A)
DOI: 10.7270/q24748nm
title: BindingDB Entry 7389: Bicyclic pyridazine compounds as Pim inhibitors

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM and Serine/threonine-protein kinase pim-1, Uniprot P11309 and Q9P1W9
DOI: 10.7270/q2668bxt
title: BindingDB Entry 6774: Synthesis, antioxidant and anticholinesterase activities of novel coumarylthiazole derivatives.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q26q1w4n
title: BindingDB Entry 8062: Chemical proteomics identifies heterogeneous nuclear ribonucleoprotein (hnRNP) A1 as the molecular target of quercetin in its anti-cancer effects in PC-3 cells.

description: Small molecule binding data for protein Heterogeneous nuclear ribonucleoprotein A1 (hnRNPA1) and Heterogeneous nuclear ribonucleoprotein A1 (hnRNPA1)(268-320)
DOI: 10.7270/q28051ds
title: BindingDB Entry 7388: Peripherally restricted diphenyl purine derivatives

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q29022km
title: BindingDB Entry 7380: Substituted pyridine compound

description: Small molecule binding data for protein Cholesteryl ester transfer protein, Uniprot P11597
DOI: 10.7270/q29z93ms
title: BindingDB Entry 6773: Hydroxybenzaldoximes Are D-GAP-Competitive Inhibitors of E. coli 1-Deoxy-D-Xylulose-5-Phosphate Synthase.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase, Uniprot P45568
DOI: 10.7270/q2bg2mvz
title: BindingDB Entry 8061: The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.

description: Small molecule binding data for protein Phenylalanyl-tRNA synthetase (PheRS), Uniprot P07395 and Q9I0A4
DOI: 10.7270/q2cr5s58
title: BindingDB Entry 7387: Azabenzimidazole derivatives

description: Small molecule binding data for protein 5'-AMP-activated protein kinase catalytic subunit alpha-1, Uniprot Q13131
DOI: 10.7270/q2fq9v9p
title: BindingDB Entry 6772: (6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives, preparation thereof and pharmaceutical use thereof as AKT(PKB) phosphorylation inhibitors

description: Small molecule binding data for protein AKT/p21CIP1, Uniprot P31749
DOI: 10.7270/q2g44p6t
title: BindingDB Entry 8060: Digoxin derivatives with enhanced selectivity for the α2 isoform of Na,K-ATPase: effects on intraocular pressure in rabbits.

description: Small molecule binding data for protein Na,K-ATPase α1β1 and Na,K-ATPase α2β1, Uniprot A3KLL5, P05023, P05026, and P50993
DOI: 10.7270/q2hh6hwk
title: BindingDB Entry 7386: Raf inhibitor compounds

description: Small molecule binding data for protein B-RAF V600E, C-RAF, RAF serine/threonine protein kinase, and Serine/threonine-protein kinase A-Raf, Uniprot P04049, P10398, and P15056
DOI: 10.7270/q2jh3jw5
title: BindingDB Entry 6779: Synthesis, thymidine phosphorylase inhibition and molecular modeling studies of 1,3,4-oxadiazole-2-thione derivatives.

description: Small molecule binding data for protein Thymidine phosphorylase (TP), Uniprot Q8XB35
DOI: 10.7270/q2kh0m1z
title: BindingDB Entry 6771: Pyridinedione carboxamide inhibitors of endothelial lipase

description: Small molecule binding data for protein Endothelial lipase (EL), Uniprot Q9Y5X9
DOI: 10.7270/q2kw5dxt
title: BindingDB Entry 8059: Two amino acid residues confer different binding affinities of Abelson family kinase SRC homology 2 domains for phosphorylated cortactin.

description: Small molecule binding data for protein Abelson tyrosine-kinase 1 SH2 domain (ABL SH2) and Abelson tyrosine-kinase 2 SH2 domain (Arg SH2)
DOI: 10.7270/q2n878m9
title: BindingDB Entry 7385: Anti-mucus drugs and uses therefor

description: Small molecule binding data for protein Mitogen-activated protein kinase 13 (MAPK13), Uniprot O15264
DOI: 10.7270/q2p849mw
title: BindingDB Entry 6778: Discovery of novel tricyclic pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine derivatives as VEGFR-2 inhibitors.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2qn65m3
title: BindingDB Entry 8057: Structure of the Acinetobacter baumannii dithiol oxidase DsbA bound to elongation factor EF-Tu reveals a novel protein interaction site.

description: Small molecule binding data for protein AbDsbA(ox)/AFDQIDNAPEE and Thiol:disulfide interchange protein (DsbA)
DOI: 10.7270/q2s1819k
title: BindingDB Entry 7384: Morpholinylbenzotriazines for use in cancer therapy

description: Small molecule binding data for protein DNA-dependent protein kinase, Uniprot P78527
DOI: 10.7270/q2t152c2
title: BindingDB Entry 6777: An efficient synthesis of SK-658 and its analogs as potent histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1, Histone deacetylase 4, and Histone deacetylase 6 (HDAC6), Uniprot P56524, Q13547, and Q9Z2V5
DOI: 10.7270/q2vd6xbf
title: BindingDB Entry 8056: Opioid receptor function is regulated by post-endocytic peptide processing.

description: Small molecule binding data for protein Endothelin-converting enzyme 1 (ECE1) and Endothelin-converting enzyme 2 (ECE-2), Uniprot P0DPD6 and P42892
DOI: 10.7270/q2wq02mt
title: BindingDB Entry 7383: Bisaryl-bonded aryltriazolones and use thereof

description: Small molecule binding data for protein Vasopressin V1a receptor (V1a) and Vasopressin V2 receptor (V2), Uniprot P30518 and P37288
DOI: 10.7270/q2xs5t4j
title: BindingDB Entry 6776: Flavonoids: true or promiscuous inhibitors of enzyme? The case of deoxyxylulose phosphate reductoisomerase.

description: Small molecule binding data for protein 1-deoxy-D-xylulose 5-phosphate reductoisomerase, Uniprot P45568
DOI: 10.7270/q2z60mxx
title: BindingDB Entry 8064: Heme Proximal Hydrogen Bonding between His170 and Asp132 Plays an Essential Role in the Heme Degradation Reaction of HutZ from Vibrio cholerae.

description: Small molecule binding data for protein Heme-binding protein HutZ (HutZ), Heme-binding protein HutZ (HutZ)(D132E), Heme-binding protein HutZ (HutZ)(D132L), and Heme-binding protein HutZ (HutZ)(D132N), Uniprot C3LWH1
DOI: 10.7270/q2zs2v61
title: BindingDB Entry 6768: Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs

description: Small molecule binding data for protein Hematopoietic protein-tyrosine phosphatase (HEPTP), Protein tyrosine phosphatase SHP-2 (SHP-2), Protein-tyrosine phosphatase, Protein-tyrosine phosphatase 1B, Protein-tyrosine phosphatase 1C, Receptor-type tyrosine-protein phosphatase F (LAR), and Tyrosine-Protein Phosphatase (CD45), Uniprot P08575, P10586, P18031, P29350, P35236, Q06124, and Q12913
DOI: 10.7270/q21j98hw
title: BindingDB Entry 6783: Development of novel adenosine receptor ligands based on the 3-amidocoumarin scaffold.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, and Adenosine receptor A3, Uniprot P0DMS8, P29274, and P30542
DOI: 10.7270/q21z438x
title: BindingDB Entry 8071: Compounds having activating effect on subtypes of peroxisome proliferator-activated receptors and its preparation method and uses

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Peroxisome proliferator-activated receptor alpha (PPAR alpha), and Peroxisome proliferator-activated receptor delta (PPAR delta), Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q23777h7
title: BindingDB Entry 7397: Development of Chemical Probes for Investigation of Salt-Inducible Kinase Function in Vivo.

description: Small molecule binding data for protein Interleukin-10 (IL-10) and Salt-inducible kinase 2 (SIK2), Uniprot P22301 and Q9H0K1
DOI: 10.7270/q25b016q
title: BindingDB Entry 6782: Design and synthesis of newer potential 4-(N-acetylamino)phenol derived piperazine derivatives as potential cognition enhancers.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P21836
DOI: 10.7270/q25q4tzd
title: BindingDB Entry 8070: Aminostatin derivatives for the treatment of arthrosis

description: Small molecule binding data for protein Cathepsin D, Uniprot P07339
DOI: 10.7270/q270806h
title: BindingDB Entry 7396: Structural and Enzymatic Analysis of Tumor-Targeted Antifolates That Inhibit Glycinamide Ribonucleotide Formyltransferase.

description: Small molecule binding data for protein Glycinamide ribonucleotide formyltransferase (GARFTase), Uniprot P22102
DOI: 10.7270/q2833qrt
title: BindingDB Entry 6789: Discovery of novel purine-based heterocyclic P2X7 receptor antagonists.

description: Small molecule binding data for protein P2X purinoceptor 7, Uniprot Q99572
DOI: 10.7270/q2930rw6
title: BindingDB Entry 6781: Antioxidant and acetylcholinesterase inhibition properties of novel bromophenol derivatives.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q29g5kp4
title: BindingDB Entry 8069: Fluorobenzoyl dipeptidyl derivatives as inhibitors of the Fasciola hepatica cysteine protease cathepsin L1.

description: Small molecule binding data for protein Cathepsin L1 (CL1)
DOI: 10.7270/q2br8qzk
title: BindingDB Entry 7395: Fluorescent Farnesyl Diphosphate Analogue: A Probe To Validate trans-Prenyltransferase Inhibitors.

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Geranylgeranyl Diphosphate Synthase (GGPPS), Geranylgeranyl diphosphate synthase (GGPPS), Geranylgeranyl diphosphate synthase mutant (GGPPS Y107A/F108A), and Octaprenyl diphosphate synthase (OPPS), Uniprot O95749, P14324, and Q12051
DOI: 10.7270/q2dr2t7r
title: BindingDB Entry 6780: Isatin based Schiff bases as inhibitors of α-glucosidase: Synthesis, characterization, in vitro evaluation and molecular docking studies.

description: Small molecule binding data for protein Alpha-glucosidase MAL12, Uniprot P53341
DOI: 10.7270/q2f76bdv
title: BindingDB Entry 8068: Design, synthesis, and biological evaluation of 3,4,5-trimethoxyphenyl acrylamides as antinarcotic agents.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 2C (5-HT2C), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), and 5-hydroxytryptamine receptor 1A, Uniprot P08908, P28223, P28335, P34969, and P50406
DOI: 10.7270/q2gh9gr6
title: BindingDB Entry 7394: 5-Benzylidene-2,4-thiazolidenedione derivatives: Design, synthesis and evaluation as inhibitors of angiogenesis targeting VEGR-2.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2jw8csf
title: BindingDB Entry 8067: Serendipitous discovery of light-induced (In Situ) formation of an Azo-bridged dimeric sulfonated naphthol as a potent PTP1B inhibitor.

description: Small molecule binding data for protein Dual-specificity phosphatase 5 phophatase (DUSP5), Protein tyrosine phosphatase SHP-2 (SHP-2), and Protein-tyrosine phosphatase 1B, Uniprot P18031, Q06124, and Q16690
DOI: 10.7270/q2m907gg
title: BindingDB Entry 7393: Synthesis, anti-inflammatory, analgesic, 5-lipoxygenase (5-LOX) inhibition activities, and molecular docking study of 7-substituted coumarin derivatives.

description: Small molecule binding data for protein 5-Lipoxygenase (5-LOX)
DOI: 10.7270/q2n878hz
title: BindingDB Entry 6786: Structure-based design of benzo[e]isoindole-1,3-dione derivatives as selective GSK-3β inhibitors to activate Wnt/β-catenin pathway.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49841
DOI: 10.7270/q2pn94h5
title: BindingDB Entry 8066: Structure-based rational design of self-inhibitory peptides to disrupt the intermolecular interaction between the troponin subunits C and I in neuropathic pain.

description: Small molecule binding data for protein Troponin C (TnC)
DOI: 10.7270/q2r21066
title: BindingDB Entry 7392: Design and synthesis of novel anti-Alzheimer's agents: Acridine-chromenone and quinoline-chromenone hybrids.

description: Small molecule binding data for protein Acetylcholinesterase, Beta-secretase 1, and Butyrylcholinesterase (BChE), Uniprot O42275, P56817, and Q9N1N9
DOI: 10.7270/q2s1817p
title: BindingDB Entry 6785: New monomeric and dimeric uridinyl derivatives as inhibitors of chitin synthase.

description: Small molecule binding data for protein Chitin synthase (CS), Uniprot P29465
DOI: 10.7270/q2sf2v27
title: BindingDB Entry 8073: Substituted sulfonamides useful as antiapoptotic Bcl inhibitors

description: Small molecule binding data for protein Apoptosis regulator Bcl-2 and Bcl-xL/BAK, Uniprot P10415 and Q07817
DOI: 10.7270/q2td9w62
title: BindingDB Entry 8065: Hetarylcoumarins: Synthesis and biological evaluation as potent α-glucosidase inhibitors.

description: Small molecule binding data for protein alpha-Glucosidase (α-Glucosidase)
DOI: 10.7270/q2vt1qwc
title: BindingDB Entry 7391: Rational design, synthesis, anti-HIV-1 RT and antimicrobial activity of novel 3-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)-1-(piperazin-1-yl)propan-1-one derivatives.

description: Small molecule binding data for protein Gag-Pol polyprotein, Uniprot P04585
DOI: 10.7270/q2ws8s05
title: BindingDB Entry 6784: Discovery of isoalloxazine derivatives as a new class of potential anti-Alzheimer agents and their synthesis.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot P22303 and Q9N1N9
DOI: 10.7270/q2x63ksj
title: BindingDB Entry 8072: Substituted 4-pyridones and their use as inhibitors of neutrophil elastase activity

description: Small molecule binding data for protein Leukocyte elastase, Uniprot P08246
DOI: 10.7270/q2zk5fgq
title: BindingDB Entry 7398: Structural and Functional Analysis of the Allosteric Inhibition of IRE1α with ATP-Competitive Ligands.

description: Small molecule binding data for protein IRE1α
DOI: 10.7270/q20k2795
title: BindingDB Entry 6791: Development of fluorinated methoxylated chalcones as selective monoamine oxidase-B inhibitors: Synthesis, biochemistry and molecular docking studies.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338
DOI: 10.7270/q20z7250
title: BindingDB Entry 8079: Tetrahydrocarboline derivative

description: Small molecule binding data for protein Autotaxin, Uniprot Q13822
DOI: 10.7270/q22b8wt7
title: BindingDB Entry 7405: Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders

description: Small molecule binding data for protein Presenilin-1, Uniprot P49768
DOI: 10.7270/q24b302b
title: BindingDB Entry 6790: Synthesis, in vitro evaluation and molecular docking studies of thiazole derivatives as new inhibitors of α-glucosidase.

description: Small molecule binding data for protein α-glucosidase, Uniprot P53051
DOI: 10.7270/q24q7swx
title: BindingDB Entry 8078: Oxazetidine derivatives, process for preparing them and use in human medicine and in cosmetics

description: Small molecule binding data for protein Melanocortin receptor 4 and Melanocyte-stimulating hormone receptor, Uniprot P32245 and Q01726
DOI: 10.7270/q2610z46
title: BindingDB Entry 7404: Oxazole derivatives useful as modulators of FAAH

description: Small molecule binding data for protein Fatty-acid amide hydrolase 1 (FAAH), Uniprot O00519
DOI: 10.7270/q28g8jmn
title: BindingDB Entry 8077: Heterocyclic compounds and uses thereof in the treatment of sexual disorders

description: Small molecule binding data for protein Dopamine D4 receptor
DOI: 10.7270/q29s1ptr
title: BindingDB Entry 7403: 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use

description: Small molecule binding data for protein Tankyrase-1 (TNKS1)
DOI: 10.7270/q2cv4gfs
title: BindingDB Entry 6788: Synthesis, biological evaluation and molecular docking of N-phenyl thiosemicarbazones as urease inhibitors.

description: Small molecule binding data for protein Urease
DOI: 10.7270/q2d799bc
title: BindingDB Entry 8076: Pyrazolopyridyl compounds as aldosterone synthase inhibitors

description: Small molecule binding data for protein Cytochrome P450 11B2 and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P15538 and P19099
DOI: 10.7270/q2fj2fkx
title: BindingDB Entry 7402: Heterocyclic sulfone mGluR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction

description: Small molecule binding data for protein Metabotropic glutamate receptor 4 (mGluR4), Uniprot Q14833
DOI: 10.7270/q2gm8614
title: BindingDB Entry 6796: Biochemical and structural analysis of inhibitors targeting the ADC-7 cephalosporinase of Acinetobacter baumannii.

description: Small molecule binding data for protein ADC-7 beta-lactamase (ADC-7)
DOI: 10.7270/q2hh6htp
title: BindingDB Entry 6787: Synthesis of benzimidazole derivatives as potent β-glucuronidase inhibitors.

description: Small molecule binding data for protein Beta-glucuronidase (β-glucuronidase)
DOI: 10.7270/q2j1022n
title: BindingDB Entry 8075: Phosphonate derivatives and methods of use thereof in the treatment of Alzheimer's disease

description: Small molecule binding data for protein Amyloid Binding Alcohol Dehydrogenase, Uniprot Q99714
DOI: 10.7270/q2k936b3
title: BindingDB Entry 7401: Azaindole derivatives as tyrosine kinase inhibitors

description: Small molecule binding data for protein Tyrosine-protein kinase JAK3 (781-1124)
DOI: 10.7270/q2m907dk
title: BindingDB Entry 6794: n-Alkylboronic acid inhibitors reveal determinants of ligand specificity in the quorum-quenching and siderophore biosynthetic enzyme PvdQ.

description: Small molecule binding data for protein N-terminal nucleophile hydrolase (PVdQ), Uniprot A0A0G5TC92
DOI: 10.7270/q2ms3rnw
title: BindingDB Entry 8082: Synthesis of a novel series of benzylether-containing cinnamoyl derivatives as histone deacetylase inhibitors.

description: Small molecule binding data for protein HDACs, Uniprot Q13547 and Q92769
DOI: 10.7270/q2ns0srt
title: BindingDB Entry 8074: 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof

description: Small molecule binding data for protein Tyrosine-protein kinase JAK1 and Tyrosine-protein kinase JAK2, Uniprot O60674 and P23458
DOI: 10.7270/q2q23z2f
title: BindingDB Entry 7400: Capture-Tag-Release: A Strategy for Small Molecule Labeling of Native Enzymes.

description: Small molecule binding data for protein beta-Galactosidase (β-gal), Uniprot P00722
DOI: 10.7270/q2rj4hb5
title: BindingDB Entry 8081: Pharmaceutical uses of 6-amino quinazoline or 3-cyano quinoline derivatives

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2st7nn2
title: BindingDB Entry 7407: Selective inhibitors of prolylcarboxypeptidase

description: Small molecule binding data for protein Prolylcarboxypeptidase (PRCP), Uniprot A0A024R5L0 and P42785
DOI: 10.7270/q2tt4psf
title: BindingDB Entry 7399: 2-Prenylated m-dimethoxybenzenes as potent inhibitors of 15-lipo-oxygenase: inhibitory mechanism and SAR studies.

description: Small molecule binding data for protein Lipoxygenase-1, Uniprot P08170
DOI: 10.7270/q2vt1qtg
title: BindingDB Entry 6792: Synthesis and molecular modelling studies of novel sulphonamide derivatives as dengue virus 2 protease inhibitors.

description: Small molecule binding data for protein DENV2 protease (NS2B-NS3), Uniprot P14340
DOI: 10.7270/q2w66jpm
title: BindingDB Entry 8080: Immune system modulators

description: Small molecule binding data for protein Toll-like receptor 9 (TLR9), Uniprot Q9NR96