cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2h9974g
title: BindingDB Entry 50047628: Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket.

description: Small molecule binding data for protein Phosphodiesterase 11A (PDE11A), Phosphodiesterase 1A (PDE1A), Phosphodiesterase 3 (PDE3), Phosphodiesterase 8, Phosphodiesterase 9A, Rod cGMP-specific 3',5'-cyclic phosphodiesterase alpha/beta, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, cAMP-specific 3',5'-cyclic phosphodiesterase 7B, cGMP-dependent 3',5'-cyclic phosphodiesterase, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O00408, O60658, O76074, O76083, P16499, P35913, P54750, Q08499, Q14432, Q9HCR9, Q9NP56, and Q9Y233
DOI: 10.7270/q2hx1fh2
title: BindingDB Entry 50047106: Aminothiazoles as Potent and Selective Sirt2 Inhibitors: A Structure-Activity Relationship Study.

description: Small molecule binding data for protein NAD-Dependent Deacetylase Sirtuin-1 and NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6 and Q96EB6
DOI: 10.7270/q2n29zvd
title: BindingDB Entry 50047627: Microwave assisted synthesis of novel acridine-acetazolamide conjugates and investigation of their inhibition effects on human carbonic anhydrase isoforms hCA I, II, IV and VII.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, Carbonic anhydrase 4, and Carbonic anhydrase 7, Uniprot P00915, P00918, P22748, and P43166
DOI: 10.7270/q2p84dwq
title: BindingDB Entry 50048154: Improved binding affinities of pyrrolidine derivatives as Mcl-1 inhibitors by modifying amino acid side chains.

description: Small molecule binding data for protein Apoptosis regulator Bcl-2, Bcl-xL/BAK, and Induced myeloid leukemia cell differentiation protein Mcl-1, Uniprot P10415, Q07817, and Q07820
DOI: 10.7270/q2rr216w
title: BindingDB Entry 50047626: Development of novel NK3 receptor antagonists with reduced environmental impact.

description: Small molecule binding data for protein Neurokinin 3 receptor, Uniprot P29371
DOI: 10.7270/q2t155nw
title: BindingDB Entry 50048153: Bis(N-amidinohydrazones) and N-(amidino)-N'-aryl-bishydrazones: New classes of antibacterial/antifungal agents.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Uniprot P40989
DOI: 10.7270/q2w37z56
title: BindingDB Entry 50047111: 4(5)-Aryl-2-C-glucopyranosyl-imidazoles as New Nanomolar Glucose Analogue Inhibitors of Glycogen Phosphorylase.

description: Small molecule binding data for protein Glycogen phosphorylase, muscle form and Liver glycogen phosphorylase, Uniprot P00489 and P09811
DOI: 10.7270/q2wh2rxt
title: BindingDB Entry 50047625: Systematic N-methylation of oxytocin: Impact on pharmacology and intramolecular hydrogen bonding network.

description: Small molecule binding data for protein Oxytocin receptor, Uniprot P30559
DOI: 10.7270/q2xs5xcx
title: BindingDB Entry 50048152: Synthesis, antiamoebic and molecular docking studies of furan-thiazolidinone hybrids.

description: Small molecule binding data for protein Thioredoxin reductase
DOI: 10.7270/q23n2572
title: BindingDB Entry 50047117: Synthesis of benzofuran derivatives as selective inhibitors of tissue-nonspecific alkaline phosphatase: effects on cell toxicity and osteoblast-induced mineralization.

description: Small molecule binding data for protein Alkaline phosphatase placental type and Intestinal alkaline phosphatase (IAP), Uniprot P05187 and P19111
DOI: 10.7270/q241700v
title: BindingDB Entry 50047631: Hydrophobic substituents increase the potency of salacinol, a potenta-glucosidase inhibitor from Ayurvedic traditional medicine 'Salacia'.

description: Small molecule binding data for protein Maltase-glucoamylase and alpha-Glucosidase (α-Glucosidase), Uniprot O43451 and P23739
DOI: 10.7270/q2571f0b
title: BindingDB Entry 50048158: Discovery of SMP-304, a novel benzylpiperidine derivative with serotonin transporter inhibitory activity and 5-HT

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Cytochrome P450 2D6, and Serotonin and norepinephrine transporters (SERT/NET), Uniprot P08908, P10635, and P31645
DOI: 10.7270/q27d2x0v
title: BindingDB Entry 50047116: Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.

description: Small molecule binding data for protein Histone acetyltransferase PCAF, Uniprot Q92831
DOI: 10.7270/q27s7qqg
title: BindingDB Entry 50047630: Kinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1,6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 12, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot O43570, P00915, P00918, and Q16790
DOI: 10.7270/q29025r3
title: BindingDB Entry 50048157: Tetrahydroquinoline-based tricyclic amines as potent and selective agonists of the 5-HT

description: Small molecule binding data for protein Dopamine D2 receptor and serotonin 2a receptor and Serotonin receptor (2b and 2c), Uniprot P28223, P28335, and P41595
DOI: 10.7270/q2c53nq5
title: BindingDB Entry 50047115: Discovery of 2-(2-aminopyrimidin-5-yl)-4-morpholino-N-(pyridin-3-yl)quinazolin-7-amines as novel PI3K/mTOR inhibitors and anticancer agents.

description: Small molecule binding data for protein PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Serine/threonine-protein kinase mTOR, Uniprot O00329, P42336, P42338, P42345, and P48736
DOI: 10.7270/q2cj8gf6
title: BindingDB Entry 50047629: Synthesis and biological evaluation of novel N-arylidenequinoline-3-carbohydrazides as potentß-glucuronidase inhibitors.

description: Small molecule binding data for protein beta-Glucuronidase (β-glucuronidase), Uniprot P08236
DOI: 10.7270/q2dr2xg4
title: BindingDB Entry 50048156: NTS2-selective neurotensin mimetics with tetrahydrofuran amino acids.

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1 and Neurotensin receptor, Uniprot O95665 and P30989
DOI: 10.7270/q2gx4dfk
title: BindingDB Entry 50047114: Drug design, synthesis, in vitro and in silico evaluation of selective monoaminoxidase B inhibitors based on 3-acetyl-2-dichlorophenyl-5-aryl-2,3-dihydro-1,3,4-oxadiazole chemical scaffold.

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/q2jh3p5d
title: BindingDB Entry 50048155: First molecular modeling report on novel arylpyrimidine kynurenine monooxygenase inhibitors through multi-QSAR analysis against Huntington's disease: A proposal to chemists!

description: Small molecule binding data for protein Kynurenine 3-monooxygenase, Uniprot O15229
DOI: 10.7270/q2mp554v
title: BindingDB Entry 50047113: Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Mitogen-activated protein kinase kinase kinase kinase 5, PAK1, SRC, Serine/threonine-protein kinase 24, Serine/threonine-protein kinase 25, Serine/threonine-protein kinase MST4, Serine/threonine-protein kinase SIK2, and p21-Activated kinase 2 (PAK2), Uniprot O00506, P06239, P40989, Q13153, Q13177, Q9H0K1, Q9P289, and Q9Y6E0
DOI: 10.7270/q2rb76g9
title: BindingDB Entry 50047112: Affinity-Based Fluorescence Polarization Assay for High-Throughput Screening of Prolyl Hydroxylase 2 Inhibitors.

description: Small molecule binding data for protein Egl nine homolog 1, Uniprot Q9GZT9
DOI: 10.7270/q208677p
title: BindingDB Entry 50047632: 2-Benzoyl-6-benzylidenecyclohexanone analogs as potent dual inhibitors of acetylcholinesterase and butyrylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q21j9csq
title: BindingDB Entry 50048159: Design, synthesis and antithrombotic evaluation of novel non-peptide thrombin inhibitors.

description: Small molecule binding data for protein Prothrombin and Thrombin, Uniprot P00734
DOI: 10.7270/q28054mq
title: BindingDB Entry 50048165: Design and synthesis of new piperidone grafted acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2bk1f9c
title: BindingDB Entry 50047637: Discovery of Novel 15-Lipoxygenase Activators To Shift the Human Arachidonic Acid Metabolic Network toward Inflammation Resolution.

description: Small molecule binding data for protein Arachidonate 15-lipoxygenase and Prostaglandin E synthase, Uniprot O14684 and P16050
DOI: 10.7270/q2fx7cbn
title: BindingDB Entry 50047122: Discovery of Novel Adenosine Receptor Agonists That Exhibit Subtype Selectivity.

description: Small molecule binding data for protein Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A2b, and Adenosine receptor A3, Uniprot P0DMS8, P29274, P29275, and P30542
DOI: 10.7270/q2gb260n
title: BindingDB Entry 50047636: Exploiting the co-reliance of tumours upon transport of amino acids and lactate: Gln and Tyr conjugates of MCT1 inhibitors.

description: Small molecule binding data for protein Monocarboxylate transporter 1, Uniprot P53985
DOI: 10.7270/q2hh6n2g
title: BindingDB Entry 50048163: N-Propargylpiperidines with naphthalene-2-carboxamide or naphthalene-2-sulfonamide moieties: Potential multifunctional anti-Alzheimer's agents.

description: Small molecule binding data for protein Acetylcholinesterase, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Cholinesterase, Uniprot P06276, P21397, P21836, and P27338
DOI: 10.7270/q2m32xp4
title: BindingDB Entry 50047635: Synthesis and anticancer activity of novel 4-morpholino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives bearing chromone moiety.

description: Small molecule binding data for protein PI3-kinase subunit alpha and Serine/threonine-protein kinase mTOR, Uniprot P42336 and P42345
DOI: 10.7270/q2n87css
title: BindingDB Entry 50048162: Discovery of novel DNA methyltransferase 3A inhibitors via structure-based virtual screening and biological assays.

description: Small molecule binding data for protein DNMT3A2/3L complex, Uniprot Q9Y6K1
DOI: 10.7270/q2qf8vrv
title: BindingDB Entry 50047120: The Rational Design of Selective Benzoxazepin Inhibitors of thea-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and PI3-kinase subunit alpha, Uniprot P05177, P08684, P10635, P11712, P33261, and P42336
DOI: 10.7270/q2qv3pdj
title: BindingDB Entry 50047634: Design, synthesis of 2,3-disubstitued 4(3H)-quinazolinone derivatives as anti-inflammatory and analgesic agents: COX-1/2 inhibitory activities and molecular docking studies.

description: Small molecule binding data for protein Prostaglandin G/H synthase (Cyclooxygenase-2) and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P79208
DOI: 10.7270/q2s184hh
title: BindingDB Entry 50048161: Evaluation of dipeptide nitriles as inhibitors of rhodesain, a major cysteine protease of Trypanosoma brucei.

description: Small molecule binding data for protein Cathepsin (L and K), Uniprot P07711
DOI: 10.7270/q2v40x2t
title: BindingDB Entry 50047119: Melanin-Concentrating Hormone Receptor 1 Antagonists Lacking an Aliphatic Amine: Synthesis and Structure-Activity Relationships of Novel 1-(Imidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one Derivatives.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, GPR24, and Melanin-concentrating hormone receptor, Uniprot P40989 and Q99705
DOI: 10.7270/q2vh5qsf
title: BindingDB Entry 50047633: Identification of a novel boronic acid as a potent, selective, and orally active hormone sensitive lipase inhibitor.

description: Small molecule binding data for protein Hormone-sensitive lipase (HSL), Uniprot Q05469
DOI: 10.7270/q2ws8w80
title: BindingDB Entry 50048160: 3-Cyano-6-(5-methyl-3-pyrazoloamino) pyridines (Part 2): A dual inhibitor of Aurora kinase and tubulin polymerization.

description: Small molecule binding data for protein Aurora kinase A/B, Aurora kinase A/Targeting protein for Xklp2, Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Fibroblast growth factor receptor 1, Ras-related protein Rab-7L1, SRC, VEGF-receptor 2 and tyrosine-protein kinase SRC, and Vascular endothelial growth factor receptor 2, Uniprot O14965, P05177, P06241, P07947, P07948, P08684, P10635, P11362, P11712, P12931, P33261, P35968, and Q96GD4
DOI: 10.7270/q2zw1nrc
title: BindingDB Entry 50047118: Optimization of a Dicarboxylic Series for in Vivo Inhibition of Citrate Transport by the Solute Carrier 13 (SLC13) Family.

description: Small molecule binding data for protein Solute carrier family 13 member 2, Solute carrier family 13 member 3, and Solute carrier family 13 member 5, Uniprot Q13183, Q67BT3, Q86YT5, Q8CJ44, and Q8WWT9
DOI: 10.7270/q20k2bk0
title: BindingDB Entry 50048167: Imidazopyridyl compounds as aldosterone synthase inhibitors.

description: Small molecule binding data for protein Cytochrome P450 11B2, Cytochrome P450 17A1, Cytochrome P450 19A1, Cytochrome P450 21, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P05093, P08684, P08686, P10635, P11511, P11712, P15538, and P19099
DOI: 10.7270/q22n5444
title: BindingDB Entry 50047125: Emerging targets and new small molecule therapies in Parkinson's disease treatment.

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Catechol-O-methyltransferase, Dopamine Transporter (DAT), Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Sodium-dependent serotonin transporter, Uniprot P22734, P23975, P23977, P31645, P31652, P40989, and Q01959
DOI: 10.7270/q2319xss
title: BindingDB Entry 50047639: Perspectives on the Two-Pore Domain Potassium Channel TREK-1 (TWIK-Related K(+) Channel 1). A Novel Therapeutic Target?

description: Small molecule binding data for protein Potassium channel protein TASK-1, Potassium channel subfamily K member 10, Potassium channel subfamily K member 2, Potassium channel subfamily K member 4, and Twik-RElated Potassium (K+) channel 1 (TREK1), Uniprot B2R8T4 B2RCT3 B5TJL4 Q9HB59 Q8TDK7 P57789 Q6B014 Q8TDK8, O14649, O95069, Q920B6 Q5DNW4 Q3MMY3 Q5DNW5 A3QR52, and Q9NYG8 Q96T94 B5TJL1
DOI: 10.7270/q24b339q
title: BindingDB Entry 50048166: Synthesis of novel steroidal agonists, partial agonists, and antagonists for the glucocorticoid receptor.

description: Small molecule binding data for protein Glucocorticoid receptor, Uniprot P04150
DOI: 10.7270/q26d5vv2
title: BindingDB Entry 50047124: Cell Penetrant Inhibitors of the KDM4 and KDM5 Families of Histone Lysine Demethylases. 2. Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives.

description: Small molecule binding data for protein Egl nine homolog 3, Histone Lysine Demethylase, Lysine-specific demethylase 4A (KDM4A), Lysine-specific demethylase 4C (KDM4C), Lysine-specific demethylase 4D, Lysine-specific demethylase 5C, and Lysine-specific demethylase 6B (KDM6B), Uniprot B2RXH2, O15054, O75164, P41229, Q6B0I6, Q9H3R0, and Q9H6Z9
DOI: 10.7270/q26t0pkn
title: BindingDB Entry 50047638: OpenGrowth: An Automated and Rational Algorithm for Finding New Protein Ligands.

description: Small molecule binding data for protein Protease, Uniprot Q9YQ12
DOI: 10.7270/q2b56mm7
title: BindingDB Entry 50047123: The Importance of Being Me: Magic Methyls, Methyltransferase Inhibitors, and the Discovery of Tazemetostat.

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EZH2, Uniprot Q15910
DOI: 10.7270/q2cr5wbr
title: BindingDB Entry 50048164: Virtual screening and biophysical studies lead to HSP90 inhibitors.

description: Small molecule binding data for protein Heat shock protein HSP90, Uniprot P07900
DOI: 10.7270/q2kp842c
title: BindingDB Entry 50047121: Discovery of Tetrahydropyrazolopyridine as Sphingosine 1-Phosphate Receptor 3 (S1P3)-Sparing S1P1 Agonists Active at Low Oral Doses.

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 (2D6), Cytochrome P450 3A, Sphingosine 1-Phosphate Receptor 2, Sphingosine 1-Phosphate Receptor 4, Sphingosine 1-Phosphate Receptor 5, Sphingosine 1-phosphate receptor, and Sphingosine 1-phosphate receptor 3, Uniprot O95136, O95977, P05177, P08684, P10635, P11712, P21453, P33261, P40989, Q99500, and Q9H228
DOI: 10.7270/q2r213cp
title: BindingDB Entry 50048169: Discovery of Chromane Propionic Acid Analogues as Selective Agonists of GPR120 with

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Free fatty acid receptor 1, Free fatty acid receptor 4, Voltage-gated calcium channel, and Voltage-gated sodium channel subunit Nav1.5, Uniprot O14842, P08684, P10635, P11712, Q13936, Q14524, Q5NUL3, Q76JU9, and Q7TMA4
DOI: 10.7270/q2vt1v3q
title: BindingDB Entry 50048168: Design and synthesis of novel N-sulfonyl-2-indoles that behave as 5-HT

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P35462, and P50406
DOI: 10.7270/q2xw4mpw
title: BindingDB Entry 50047126: Synthesis, structural characterization, docking, lipophilicity and cytotoxicity of 1-[(1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]-3-alkyl carbamates, novel acetylcholinesterase and butyrylcholinesterase pseudo-irreversible inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275, P04058, and P81908
DOI: 10.7270/q2z89fbb
title: BindingDB Entry 50047640: 3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors.

description: Small molecule binding data for protein Endopeptidase prolyl oligopeptidase (PREP) and Prolyl endopeptidase, Uniprot O70196, P23687, P48147, and Q9XTA2
DOI: 10.7270/q23b624w
title: BindingDB Entry 50048174: Structure-guided discovery of thiazolidine-2,4-dione derivatives as a novel class of Leishmania major pteridine reductase 1 inhibitors.

description: Small molecule binding data for protein Pteridine reductase 1, Uniprot Q01782
DOI: 10.7270/q25d8tp7
title: BindingDB Entry 50047132: 2-Sulfonamidopyridine C-region analogs of 2-(3-fluoro-4-methylsulfonamidophenyl)propanamides as potent TRPV1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q25t3ndt
title: BindingDB Entry 50047646: Monoacidic Inhibitors of the Kelch-like ECH-Associated Protein 1: Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1:NRF2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.

description: Small molecule binding data for protein Bile salt export pump (BSEP), Kelch-like ECH-associated protein 1, Nuclear factor erythroid 2-related factor 2, Phosphodiesterase 3 (PDE3), and Solute carrier organic anion transporter family member 1B1 (OATP1B1), Uniprot O95342, Q14145, Q14432, Q16236, and Q9Y6L6
DOI: 10.7270/q2736sw8
title: BindingDB Entry 50048173: Modulatory effects of silibinin in various cell signaling pathways against liver disorders and cancer - A comprehensive review.

description: Small molecule binding data for protein Cytochrome P450 2C9, Uniprot P11712
DOI: 10.7270/q2959kdz
title: BindingDB Entry 50047131: Discovery of the First Potent and Selective Inhibitors of Human dCTP Pyrophosphatase 1.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and dCTP pyrophosphatase 1 (DCTPP1), Uniprot P05177, P08684, P10635, P11712, P33261, and Q9H773
DOI: 10.7270/q29k4d50
title: BindingDB Entry 50047645: Understanding Oxadiazolothiazinone Biological Properties: Negative Inotropic Activity versus Cytochrome P450-Mediated Metabolism.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P05177, P08684, P10635, P11712, and P33261
DOI: 10.7270/q2br8v5x
title: BindingDB Entry 50048172: Optimization and biological evaluation of aminopyrimidine-based I¿B kinaseß inhibitors with potent anti-inflammatory effects.

description: Small molecule binding data for protein Inhibitor of NF-kappa-B kinase (IKK), Uniprot O14920
DOI: 10.7270/q2dz0b5c
title: BindingDB Entry 50047130: Design and evaluation of novel glutaminase inhibitors.

description: Small molecule binding data for protein Glutaminase kidney isoform, mitochondrial, Uniprot O94925
DOI: 10.7270/q2fb54w9
title: BindingDB Entry 50047644: Discovery of Bifunctional Oncogenic Target Inhibitors against Allosteric Mitogen-Activated Protein Kinase (MEK1) and Phosphatidylinositol 3-Kinase (PI3K).

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, Uniprot P31938 and Q02750
DOI: 10.7270/q2gh9kxp
title: BindingDB Entry 50048171: Synthesis and pharmacological characterization of novel N-(trans-4-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)cyclohexyl)amides as potential multireceptor atypical antipsychotics.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Dopamine D2 receptor and serotonin 2a receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, and Voltage-gated potassium channel, Uniprot P08908, P14416, P28223, P35462, and Q12809
DOI: 10.7270/q2jq12wp
title: BindingDB Entry 50047129: Development of a potent 2-oxoamide inhibitor of secreted phospholipase A2 guided by molecular docking calculations and molecular dynamics simulations.

description: Small molecule binding data for protein Phospholipase A2, membrane associated and Secretory phospholipase A2, group V (sPLA2-V), Uniprot P14555, P31482, and P39877
DOI: 10.7270/q2k35wmn
title: BindingDB Entry 50047643: Optimizing Ligand Efficiency of Selective Androgen Receptor Modulators (SARMs).

description: Small molecule binding data for protein Androgen Receptor, Uniprot P10275
DOI: 10.7270/q2m90bnz
title: BindingDB Entry 50048170: Establishment of a human indoleamine 2, 3-dioxygenase 2 (hIDO2) bioassay system and discovery of tryptanthrin derivatives as potent hIDO2 inhibitors.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 2, Uniprot Q6ZQW0
DOI: 10.7270/q2pg1tm1
title: BindingDB Entry 50047128: Antiretroviral (HIV-1) activity of azulene derivatives.

description: Small molecule binding data for protein Reverse transcriptase, Uniprot Q9WKE8
DOI: 10.7270/q2pv6nb2
title: BindingDB Entry 50047642: Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00918 and P00921
DOI: 10.7270/q2t72k99
title: BindingDB Entry 50047127: Novel tricyclic pyrazolo[1,5-d][1,4]benzoxazepin-5(6H)-one: Design, synthesis, model and use as hMAO-B inhibitors.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A and Amine oxidase [flavin-containing] B, Uniprot P21397 and P27338