cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2t155dr
title: BindingDB Entry 50046158: Structure-Activity Relationships of Neplanocin A Analogues as S-Adenosylhomocysteine Hydrolase Inhibitors and Their Antiviral and Antitumor Activities.

description: Small molecule binding data for protein Adenosylhomocysteinase, Uniprot P23526
DOI: 10.7270/q2tm7ct7
title: BindingDB Entry 50045642: Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, MAP kinase ERK2, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P28482, P33261, and Q12809
DOI: 10.7270/q2vd7185
title: BindingDB Entry 50046667: Chemical Synthesis and Biological Activities of 20S,24S/R-Dihydroxyvitamin D3 Epimers and Their 1a-Hydroxyl Derivatives.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q2xp76j6
title: BindingDB Entry 50045198: Docking based virtual screening and molecular dynamics study to identify potential monoacylglycerol lipase inhibitors.

description: Small molecule binding data for protein Monoglyceride Lipase (MGL), Uniprot Q99685
DOI: 10.7270/q2zc84jz
title: BindingDB Entry 50045641: Synthesis and pharmacological evaluation of benzannulated derivatives as potent and selective sigma-1 protein ligands.

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q21g0nw8
title: BindingDB Entry 50045205: New praziquantel derivatives containing NO-donor furoxans and related furazans as active agents against Schistosoma mansoni.

description: Small molecule binding data for protein Thioredoxin glutathione reductase
DOI: 10.7270/q2251kvk
title: BindingDB Entry 50045648: A facile and novel synthesis of N(2)-, C(6)-substituted pyrazolo[3,4-d]pyrimidine-4 carboxylate derivatives as adenosine receptor antagonists.

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/q22z17bn
title: BindingDB Entry 50046673: Highly potent and selective pyrazolylpyrimidines as Syk kinase inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Cytochrome P450 3A, JAK3/JAK1, Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase SYK, Tyrosine-protein kinase ZAP-70, Vascular endothelial growth factor receptor 2, and Voltage-gated potassium channel, Uniprot O60674, P07949, P08684, P35968, P43403, P43405, P52333, Q12809, and Q96GD4
DOI: 10.7270/q2571dnf
title: BindingDB Entry 50045204: Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targetingß-amyloid, tau, and cholinesterase pathologies.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q25b047d
title: BindingDB Entry 50046163: Fragment-Based Discovery of a Small Molecule Inhibitor of Bruton's Tyrosine Kinase.

description: Small molecule binding data for protein Activin receptor type-1, LIM domain kinase 1, SRC, Tyrosine kinase non-receptor protein 2, Tyrosine-protein kinase BMX, Tyrosine-protein kinase BTK, Tyrosine-protein kinase Blk, Tyrosine-protein kinase ITK/TSK, Tyrosine-protein kinase TEC, and VEGF-receptor 2 and tyrosine-protein kinase SRC, Uniprot P06239, P07948, P08631, P09769, P12931, P42680, P42685, P51451, P51813, P53667, Q04771, Q06187, Q07912, and Q08881
DOI: 10.7270/q25x2bmf
title: BindingDB Entry 50045647: Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.

description: Small molecule binding data for protein Farnesyl diphosphate synthase, Uniprot P14324
DOI: 10.7270/q28p623f
title: BindingDB Entry 50044669: Synthesis of non-prenyl analogues of baccharin as selective and potent inhibitors for aldo-keto reductase 1C3.

description: Small molecule binding data for protein 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3), Aldo-keto reductase family 1 member C1, Aldo-keto reductase family 1 member C2, and Aldo-keto reductase family 1 member C4 (AK1C4), Uniprot P17516, P42330, P52895, and Q04828
DOI: 10.7270/q29025f2
title: BindingDB Entry 50045203: CoMFA and CoMSIA analysis of ACE-inhibitory, antimicrobial and bitter-tasting peptides.

description: Small molecule binding data for protein Angiotensin-converting enzyme, Uniprot P12821
DOI: 10.7270/q2930vxw
title: BindingDB Entry 50046162: Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Rho-associated protein kinase, and cAMP-dependent protein kinase (PKA), Uniprot P05177, P08684, P10635, P11712, P17612, P33261, and Q13464
DOI: 10.7270/q2cf9rqf
title: BindingDB Entry 50044676: Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases.

description: Small molecule binding data for protein Aminopeptidase N and Leucine aminopeptidase (LAP), Uniprot P15144 and P15145
DOI: 10.7270/q2dr2x53
title: BindingDB Entry 50045202: Synthesis and biological evaluation of 2-anilino-4-substituted-7H-pyrrolopyrimidines as PDK1 inhibitors.

description: Small molecule binding data for protein 3-phosphoinositide dependent protein kinase-1, Uniprot O15530
DOI: 10.7270/q2dv1mn9
title: BindingDB Entry 50046161: Structure-Guided Design of Group I Selective p21-Activated Kinase Inhibitors.

description: Small molecule binding data for protein PAK1, Serine/threonine-protein kinase Aurora, and Serine/threonine-protein kinase PAK 4, Uniprot O14965, O96013, and Q13153
DOI: 10.7270/q2ff3v2h
title: BindingDB Entry 50045645: Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.

description: Small molecule binding data for protein Dual specificity protein kinase TTK, Uniprot P33981
DOI: 10.7270/q2g73gkx
title: BindingDB Entry 50046670: Quaternary Indolizidine and Indolizidone Iminosugars as Potential Immunostimulating and Glycosidase Inhibitory Agents: Synthesis, Conformational Analysis, Biological Activity, and Molecular Docking Study.

description: Small molecule binding data for protein β-galactosidase and Alpha-mannosidase, Uniprot C0HJB3 and Q58D55
DOI: 10.7270/q2gf0wc4
title: BindingDB Entry 50047209: Systematic diversification of benzylidene heterocycles yields novel inhibitor scaffolds selective for Dyrk1A, Clk1 and CK2.

description: Small molecule binding data for protein CDC2-like kinase 3 (CLK3), Dual specificity protein kinase CLK4, Dual specificty protein kinase CLK1, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 2, Dual-specificity tyrosine-regulated kinases 1B, Epidermal growth factor receptor, PI3-kinase subunit alpha, PI3-kinase subunit delta, PI3-kinase subunit gamma, PKC alpha and beta-2, Serine/threonine-protein kinase 17A, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase haspin, and myosin light chain kinase 2, Uniprot O00329, P00533, P05771, P11309, P42336, P48736, P49759, P49761, Q13627, Q8TF76, Q92630, Q9H1R3, Q9HAZ1, Q9UEE5, and Q9Y463
DOI: 10.7270/q2h70hd8
title: BindingDB Entry 50044675: Semisynthetic analogues of toxiferine I and their pharmacological properties ata7 nAChRs, muscle-type nAChRs, and the allosteric binding site of muscarinic M2 receptors.

description: Small molecule binding data for protein Cholinergic, muscarinic and Neuronal acetylcholine receptor protein alpha-7 subunit, Uniprot P06199 and P36544
DOI: 10.7270/q2jh3nth
title: BindingDB Entry 50045201: 2-Aryl substituted pyridine C-region analogues of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as highly potent TRPV1 antagonists.

description: Small molecule binding data for protein Transient receptor potential cation channel subfamily V member 1, Uniprot Q8NER1
DOI: 10.7270/q2jm2cdg
title: BindingDB Entry 50046160: Novel N-Acetyl Bioisosteres of Melatonin: Melatonergic Receptor Pharmacology, Physicochemical Studies, and Phenotypic Assessment of Their Neurogenic Potential.

description: Small molecule binding data for protein Melatonin receptor and Serotonin (5-HT) receptor, Uniprot P14842, P19327, P48039, and P49286
DOI: 10.7270/q2m61n49
title: BindingDB Entry 50047208: Design and synthesis of novel tamoxifen analogues that avoid CYP2D6 metabolism.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα) and Estradiol receptor beta (ERβ), Uniprot P03372 and Q92731
DOI: 10.7270/q2n0183j
title: BindingDB Entry 50044674: Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1d ande with nanomolar inhibitory activity on cancer cell proliferation.

description: Small molecule binding data for protein Casein kinase I delta, Casein kinase I delta/epsilon, Casein kinase I isoform alpha, and Casein kinase I isoform gamma-3, Uniprot P49674, P67827, Q06486, and Q9Y6M4
DOI: 10.7270/q2pc3446
title: BindingDB Entry 50046159: Design, Synthesis, and Evaluation of Thyronamine Analogues as Novel Potent Mouse Trace Amine Associated Receptor 1 (mTAAR1) Agonists.

description: Small molecule binding data for protein Trace amine-associated receptor 1 (TAAR1), Uniprot Q923Y8
DOI: 10.7270/q2qz2cv9
title: BindingDB Entry 50047207: The natural diterpene tonantzitlolone A and its synthetic enantiomer inhibit cell proliferation and kinesin-5 function.

description: Small molecule binding data for protein Neural Wiskott-Aldrich syndrome protein, Uniprot O08816
DOI: 10.7270/q2rr20tj
title: BindingDB Entry 50044673: Assessment of antidotal efficacy of cholinesterase reactivators against paraoxon: In vitro reactivation kinetics and physicochemical properties.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2sn0bpd
title: BindingDB Entry 50045650: 6-Sulfonylbenzothiazolones as potential scaffolds for the design of 5-HT6 ligands.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), Uniprot P50406
DOI: 10.7270/q2tf005s
title: BindingDB Entry 50046675: Discovery and Optimization of Novel, Selective Histone Methyltransferase SET7 Inhibitors by Pharmacophore- and Docking-Based Virtual Screening.

description: Small molecule binding data for protein SET domain-containing protein 7/9 (Set7/9), Uniprot Q8WTS6
DOI: 10.7270/q2vq34k1
title: BindingDB Entry 50047206: Discovery of antitumor anthra[2,3-b]furan-3-carboxamides: Optimization of synthesis and evaluation of antitumor properties.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Dual serine/threonine and tyrosine protein kinase, MAP kinase-interacting serine/threonine-protein kinase MNK1, Serine/threonine-protein kinase Aurora-C, Serine/threonine-protein kinase PIM, Serine/threonine-protein kinase tousled-like 1, and TAK1/TAB1, Uniprot O43318, P11309, Q6XUX3, Q86V86, Q96GD4, Q9BUB5, Q9UKI8, and Q9UQB9
DOI: 10.7270/q2wh2rkb
title: BindingDB Entry 50044672: Design, synthesis and biological evaluation of novel 6H-benzo[c]chromen-6-one, and 7,8,9,10-tetrahydro-benzo[c]chromen-6-one derivatives as potential cholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2xd13cp
title: BindingDB Entry 50045649: Potent acetylcholinesterase inhibitors: design, synthesis, biological evaluation, and docking study of acridone linked to 1,2,3-triazole derivatives.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2xs5x4s
title: BindingDB Entry 50046157: Design and Evaluation of 3-(Benzylthio)benzamide Derivatives as Potent and Selective SIRT2 Inhibitors.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 2, Uniprot Q8IXJ6
DOI: 10.7270/q2z60qv8
title: BindingDB Entry 50046674: Difluoromethyl ketones: Potent inhibitors of wild type and carbamate-insensitive G119S mutant Anopheles gambiae acetylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275, P22303, and Q869C3
DOI: 10.7270/q20866ws
title: BindingDB Entry 50044679: Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dual specificity mitogen-activated protein kinase kinase 1, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, Q02750, and Q12809
DOI: 10.7270/q2154jrn
title: BindingDB Entry 50045656: Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties.

description: Small molecule binding data for protein Acetylcholinesterase, Butyrylcholinesterase (BuChE), and Cholinesterase, Uniprot O42275, P06276, P22303, and P81908
DOI: 10.7270/q21j9cjk
title: BindingDB Entry 50046164: Pyridinonaphthyridinone Inhibitors of Type 2 Methionine Aminopeptidase.

description: Small molecule binding data for protein Microtubule-associated protein 2, Uniprot P11137
DOI: 10.7270/q21z4668
title: BindingDB Entry 50046681: Synthesis of novel acridine bis-sulfonamides with effective inhibitory activity against the carbonic anhydrase isoforms I, II, IX and XII.

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/q2377bkc
title: BindingDB Entry 50047212: Design and synthesis of [(125)I]Pyricoxib: A novel (125)I-labeled cyclooxygenase-2 (COX-2) inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2416znk
title: BindingDB Entry 50044678: Alpha-ethyltryptamines as dual dopamine-serotonin releasers.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977, P28223, and P31652
DOI: 10.7270/q25q4xwr
title: BindingDB Entry 50046680: Structure-Affinity Relationship Analysis of Selective FKBP51 Ligands.

description: Small molecule binding data for protein FK506 binding protein 4, Mammalian target of Rapamycin (mTORC1), and Peptidyl-prolyl cis-trans isomerase FKBP5, Uniprot P62942, Q02790, and Q13451
DOI: 10.7270/q26w9czz
title: BindingDB Entry 50047211: Stimulation of cortical bone formation with thienopyrimidine based inhibitors of Notum Pectinacetylesterase.

description: Small molecule binding data for protein Palmitoleoyl-protein carboxylesterase NOTUM, Uniprot Q6P988 and Q8R116
DOI: 10.7270/q27s7qbj
title: BindingDB Entry 50044677: Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1¿ binding site.

description: Small molecule binding data for protein ADAM17, Collagenase, Matrix Metalloproteinase-8 (MMP-8), Matrix metalloproteinase 10, Matrix metalloproteinase-1 (MMP1), Matrix metalloproteinase-14 (MMP14), Matrix metalloproteinase-7 (MMP7), and Stromelysin-1, Uniprot P03956, P08253, P08254, P09237, P09238, P14780, P22894, P45452, P50281, and P78536
DOI: 10.7270/q2805487
title: BindingDB Entry 50045211: Potent and selective inhibitors of the TASK-1 potassium channel through chemical optimization of a bis-amide scaffold.

description: Small molecule binding data for protein Inward rectifier potassium channel 2, KCNQ (Kv7) potassium channel, Potassium channel protein TASK-1, Potassium channel subfamily K member 9, and Voltage-gated potassium channel, Uniprot O14649, O43526, P63252, Q12809, and Q9NPC2
DOI: 10.7270/q29g5pmg
title: BindingDB Entry 50046679: Novel 3-Substituted 7-Phenylpyrrolo[3,2-f]quinolin-9(6H)-ones as Single Entities with Multitarget Antiproliferative Activity.

description: Small molecule binding data for protein Tubulin alpha chain /beta chain, Uniprot Q6B856
DOI: 10.7270/q2bp04ns
title: BindingDB Entry 50047210: Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Estradiol receptor alpha (ERα), Glucocorticoid receptor, and Progesterone receptor, Uniprot P03372, P04150, P06401, P08684, P10635, and P11712
DOI: 10.7270/q2df6sw8
title: BindingDB Entry 50045653: Discovery of AZD3147: a potent, selective dual inhibitor of mTORC1 and mTORC2.

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/q2f76fcn
title: BindingDB Entry 50046678: Optimization of a Novel Binding Motif to (E)-3-(3,5-Difluoro-4-((1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl)acrylic Acid (AZD9496), a Potent and Orally Bioavailable Selective Estrogen Receptor Downregulator and Antagonist.

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), Glucocorticoid receptor, and Progesterone receptor, Uniprot P03372, P04150, P06401, and P10275
DOI: 10.7270/q2hh6mr1
title: BindingDB Entry 50045209: Thieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: hit-to-lead optimization.

description: Small molecule binding data for protein Metabotropic glutamate receptor, Uniprot P31424
DOI: 10.7270/q2hm5b66
title: BindingDB Entry 50046168: Optimization of 2,4-diamino-5-fluoropyrimidine derivatives as protein kinase C theta inhibitors with mitigated time-dependent drug-drug interactions and P-gp liability.

description: Small molecule binding data for protein Protein kinase C theta type, Uniprot Q04759
DOI: 10.7270/q2j67jm0
title: BindingDB Entry 50045652: Synthesis, characterization, and optimization for in vivo delivery of a nonselective isopeptidase inhibitor as new antineoplastic agent.

description: Small molecule binding data for protein Ubiquitin carboxyl-terminal hydrolase 2, Ubiquitin carboxyl-terminal hydrolase isozyme L5, and Ubl carboxyl-terminal hydrolase 18, Uniprot O75604, Q9UMW8, and Q9Y5K5
DOI: 10.7270/q2k0763c
title: BindingDB Entry 50046677: Discovery of 4-Aryl-5,6,7,8-tetrahydroisoquinolines as Potent, Selective, and Orally Active Aldosterone Synthase (CYP11B2) Inhibitors: In Vivo Evaluation in Rodents and Cynomolgus Monkeys.

description: Small molecule binding data for protein Cytochrome P450 11B2, Cytochrome P450 11B2, mitochondrial, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 3A, Uniprot P08684, P10635, P11712, P15539, and P19099
DOI: 10.7270/q2m04712
title: BindingDB Entry 50044682: The design and synthesis of potent and selective inhibitors of Trypanosoma brucei glycogen synthase kinase 3 for the treatment of human african trypanosomiasis.

description: Small molecule binding data for protein Glycogen synthase kinase-3, Uniprot P49840 and P49841
DOI: 10.7270/q2n87cf9
title: BindingDB Entry 50045208: Design, synthesis, and biological activities of 1-aryl-1,4-diazepan-2-one derivatives as novel triple reuptake inhibitors.

description: Small molecule binding data for protein Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P23975, P31645, and Q01959
DOI: 10.7270/q2nc62zz
title: BindingDB Entry 50046167: Synthesis, biological activities and pharmacokinetic properties of new fluorinated derivatives of selective PDE4D inhibitors.

description: Small molecule binding data for protein cAMP-specific 3',5'-cyclic phosphodiesterase 4D, Uniprot Q08499
DOI: 10.7270/q2nz899z
title: BindingDB Entry 50045651: Chalcones and their therapeutic targets for the management of diabetes: structural and pharmacological perspectives.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2pr7xsj
title: BindingDB Entry 50046676: Improving the Selectivity of Engineered Protease Inhibitors: Optimizing the P2 Prime Residue Using a Versatile Cyclic Peptide Library.

description: Small molecule binding data for protein Kallikrein 14, Kallikrein 4, Kallikrein 5, Kallikrein 7, Plasminogen, Prothrombin, Transmembrane protease serine 6, and Trypsin, Uniprot P00734, P00747, P07477, P07478, P35030, P49862, Q8IU80, Q9P0G3, and Q9Y5K2
DOI: 10.7270/q2pz5bpg
title: BindingDB Entry 50047215: Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation.

description: Small molecule binding data for protein Ephrin receptor, Uniprot P54760 and Q541P7
DOI: 10.7270/q2qr4zps
title: BindingDB Entry 50044681: Quinazoline-sulfonamides with potent inhibitory activity against thea-carbonic anhydrase from Vibrio cholerae.

description: Small molecule binding data for protein Carbonic anhydrase and Carbonic anhydrase 2, Uniprot P00915 and P00918
DOI: 10.7270/q2s1844k
title: BindingDB Entry 50045207: Synthesis and SAR study of novel tricyclic pyrazoles as potent phosphodiesterase 10A inhibitors.

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9Y233
DOI: 10.7270/q2s46tqr
title: BindingDB Entry 50046166: Synthesis and evaluation of selegiline derivatives as monoamine oxidase inhibitor, antioxidant and metal chelator against Alzheimer's disease.

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/q2vh5qdh
title: BindingDB Entry 50044680: Michael acceptor approach to the design of new salvinorin A-based high affinity ligands for the kappa-opioid receptor.

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/q2wq05ft
title: BindingDB Entry 50045206: Potent, orally available, selective COX-2 inhibitors based on 2-imidazoline core.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2ws8w1v
title: BindingDB Entry 50046165: MLN8054 and Alisertib (MLN8237): Discovery of Selective Oral Aurora A Inhibitors.

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, GABA A receptor alpha-1/beta-1/gamma-2, Serine/threonine-protein kinase Aurora, and Serine/threonine-protein kinase Aurora-A, Uniprot O14965, P14867, P97477, and Q96GD4
DOI: 10.7270/q20g3mts
title: BindingDB Entry 50045213: Molecular dynamics study-guided identification of cyclic amine structures as novel hydrophobic tail components of hPPAR¿ agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231