cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2k35wch
title: BindingDB Entry 50045466: Design, synthesis and docking study of novel tetracyclic oxindole derivatives asa-glucosidase inhibitors.

description: Small molecule binding data for protein α-glucosidase, Uniprot P53051
DOI: 10.7270/q2kd20jz
title: BindingDB Entry 50045015: C5-Alkyl-2-methylurea-Substituted Pyridines as a New Class of Glucokinase Activators.

description: Small molecule binding data for protein Hexokinase type IV, Uniprot P35557
DOI: 10.7270/q2p84dnk
title: BindingDB Entry 50045976: Rational design of dual peptides targeting ghrelin and Y2 receptors to regulate food intake and body weight.

description: Small molecule binding data for protein Ghrelin receptor and Neuropeptide Y receptor type 2, Uniprot P49146 and Q92847
DOI: 10.7270/q2pn972k
title: BindingDB Entry 50043346: Experimental and structural testing module to analyze paralogue-specificity and affinity in the Hsp90 inhibitors series.

description: Small molecule binding data for protein Heat shock protein 75 kDa, mitochondrial and Heat shock protein 90 beta, Uniprot P41148 and Q12931
DOI: 10.7270/q2pv6mx8
title: BindingDB Entry 50044480: Structural insights into the molecular mechanism of vitamin D receptor activation by lithocholic acid involving a new mode of ligand recognition.

description: Small molecule binding data for protein Vitamin D receptor, Uniprot P11473
DOI: 10.7270/q2q52r7v
title: BindingDB Entry 50045014: Exploration and pharmacokinetic profiling of phenylalanine based carbamates as novel substance p 1-7 analogues.

description: Small molecule binding data for protein Neurokinin 1 receptor, Uniprot P25103
DOI: 10.7270/q2s75ht1
title: BindingDB Entry 50043980: cis-1-Oxo-heterocyclyl-4-amido cyclohexane derivatives as NPY5 receptor antagonists.

description: Small molecule binding data for protein Neuropeptide Y receptor type 5 ( NPY Y5), Uniprot Q15761
DOI: 10.7270/q2t155c9
title: BindingDB Entry 50045975: Discovery of aß-Hairpin Octapeptide, c[Pro-Arg-Phe-Phe-Dap-Ala-Phe-DPro], Mimetic of Agouti-Related Protein(87-132) [AGRP(87-132)] with Equipotent Mouse Melanocortin-4 Receptor (mMC4R) Antagonist Pharmacology.

description: Small molecule binding data for protein Melanocortin receptor 1, Melanocortin receptor 3, Melanocortin receptor 4, and Melanocortin receptor 5 (MC5R), Uniprot P33033, P41149, P56450, and Q01727
DOI: 10.7270/q2td9zsh
title: BindingDB Entry 50043345: Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P04150, P06401, P08235, and P10275
DOI: 10.7270/q2x068jr
title: BindingDB Entry 50043979: Discovery of dual ZAP70 and Syk kinases inhibitors by docking into a rare C-helix-out conformation of Syk.

description: Small molecule binding data for protein Focal adhesion kinase 1/vascular endothelial growth factor receptor 3, Hepatocyte growth factor receptor, Tyrosine-protein kinase JAK2, Tyrosine-protein kinase SYK, and Tyrosine-protein kinase ZAP-70, Uniprot O60674, P08581, P43403, P43405, and Q05397
DOI: 10.7270/q2xd13b7
title: BindingDB Entry 50045471: Discovery of 3H-imidazo[4,5-c]quinolin-4(5H)-ones as potent and selective dipeptidyl peptidase IV (DPP-4) inhibitors: use of a carboxylate prodrug to improve bioavailability.

description: Small molecule binding data for protein Dipeptidyl peptidase 4 (DPP4), Uniprot P27487
DOI: 10.7270/q2zk5j88
title: BindingDB Entry 50045012: GnRH antagonists: the promise of treating sex-hormone-related diseases.

description: Small molecule binding data for protein Gonadotropin releasing hormone 1 (GnRHR1), Uniprot P30968
DOI: 10.7270/q20r9qxd
title: BindingDB Entry 50043986: Design, synthesis and evaluation of genistein-O-alkylbenzylamines as potential multifunctional agents for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot O42275
DOI: 10.7270/q21j9ch4
title: BindingDB Entry 50045981: Discovery of benzimidazole oxazolidinediones as novel and selective nonsteroidal mineralocorticoid receptor antagonists.

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), Estradiol receptor beta (ERβ), Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P03372, P04150, P06401, P08235, P10275, and Q92731
DOI: 10.7270/q21z45vc
title: BindingDB Entry 50043351: Modulation ofavß3- anda5ß1-integrin-mediated adhesion by dehydro-ß-amino acids containing peptidomimetics.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha5 and Integrin beta-3/Vitronectin receptor alpha, Uniprot P05106, P05556, P06756, and P08648
DOI: 10.7270/q24j0gnp
title: BindingDB Entry 50043985: Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity.

description: Small molecule binding data for protein Histone deacetylase 6, Uniprot Q9Z2V5
DOI: 10.7270/q2571drs
title: BindingDB Entry 50045980: Rho kinase inhibitors: potentially versatile therapy for the treatment of cardiovascular diseases and more.

description: Small molecule binding data for protein Rho-associated protein kinase, Uniprot O75116
DOI: 10.7270/q25q4xj8
title: BindingDB Entry 50043350: Medicinal chemistry of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors.

description: Small molecule binding data for protein Nicotinamide phosphoribosyltransferase, Uniprot P43490
DOI: 10.7270/q2639rcz
title: BindingDB Entry 50045018: Optimization of drug-like properties of nonsteroidal glucocorticoid mimetics and identification of a clinical candidate.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Glucocorticoid, Glucocorticoid receptor, Mineralocorticoid receptor (MR), Progesterone receptor, and Voltage-gated potassium channel, Uniprot P04150, P05177, P06401, P06537, P08235, P08684, P10635, P11712, P33261, and Q12809
DOI: 10.7270/q28917cd
title: BindingDB Entry 50043984: Discovery of novel urea derivatives as dual-target hypoglycemic agents that activate glucokinase and PPAR¿.

description: Small molecule binding data for protein Hexokinase type IV, Uniprot P35557
DOI: 10.7270/q28k7brm
title: BindingDB Entry 50045476: Discovery of phenoxybutanoic acid derivatives as potent endothelin antagonists with antihypertensive activity.

description: Small molecule binding data for protein EDNRA and EDNRB, Uniprot P21451 and P26684
DOI: 10.7270/q28p6220
title: BindingDB Entry 50044491: Preparation, anticholinesterase activity and molecular docking of new lupane derivatives.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot P04058 and P81908
DOI: 10.7270/q29g5p7j
title: BindingDB Entry 50043349: Development and therapeutic implications of selective histone deacetylase 6 inhibitors.

description: Small molecule binding data for protein Histone deacetylase 3/Nuclear receptor corepressor 2, Uniprot O15379 and Q9Y618
DOI: 10.7270/q2d22034
title: BindingDB Entry 50043983: The discovery of reverse tricyclic pyridone JAK2 inhibitors. Part 2: lead optimization.

description: Small molecule binding data for protein Tyrosine-protein kinase JAK2, Uniprot O60674
DOI: 10.7270/q2db83fw
title: BindingDB Entry 50044490: Design and synthesis of quinolinopropellane derivatives with selectived opioid receptor agonism.

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/q2db83j7
title: BindingDB Entry 50045475: Novel, potent, orally bioavailable and selective mycobacterial ATP synthase inhibitors that demonstrated activity against both replicating and non-replicating M. tuberculosis.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q2hh6mtx
title: BindingDB Entry 50045985: Dual-Mode HDAC Prodrug for Covalent Modification and Subsequent Inhibitor Release.

description: Small molecule binding data for protein Histone deacetylase, Histone deacetylase 1, Histone deacetylase 3/NCoR1, and Histone deacetylase 8, Uniprot A0A024QZ26, O15379, Q13547, Q92769, Q9BY41, and Q9UBN7
DOI: 10.7270/q2j38v4s
title: BindingDB Entry 50044489: Design and synthesis of phenylisoxazole derivatives as novel human acrosin inhibitors.

description: Small molecule binding data for protein Acrosin, Uniprot P10323
DOI: 10.7270/q2j38v8k
title: BindingDB Entry 50045474: Reversible and irreversible small molecule inhibitors of monoamine oxidase B (MAO-B) investigated by biophysical techniques.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] B, Monoamine Oxidase Type B (MAO-B), and Monoamine oxidase, Uniprot P19643, P21396, and P27338
DOI: 10.7270/q2ng4s45
title: BindingDB Entry 50043981: 5-Hydroxy-2-(2-phenylethyl)chromone (5-HPEC): a novel non-nitrogenous ligand for 5-HT2B receptor.

description: Small molecule binding data for protein Serotonin 3 (5-HT3) receptor, Uniprot P46098
DOI: 10.7270/q2nv9ksw
title: BindingDB Entry 50044488: ß-Secretase (BACE1)-inhibiting C-methylrotenoids from Abronia nana suspension cultures.

description: Small molecule binding data for protein Beta-secretase 1, Uniprot P56817
DOI: 10.7270/q2nv9kz4
title: BindingDB Entry 50045473: Synthesis, biological evaluation and docking analysis of a new series of methylsulfonyl and sulfamoyl acetamides and ethyl acetates as potent COX-2 inhibitors.

description: Small molecule binding data for protein Cyclooxygenase, Uniprot P35354
DOI: 10.7270/q2p55q4x
title: BindingDB Entry 50045022: Identification of potent orally active factor Xa inhibitors based on conjugation strategy and application of predictable fragment recommender system.

description: Small molecule binding data for protein Coagulation factor X/antithrombin III, Prothrombin, and Trypsin, Uniprot P00734, P00742, P07477, P07478, and P35030
DOI: 10.7270/q2s1848c
title: BindingDB Entry 50045983: Switch in Site of Inhibition: A Strategy for Structure-Based Discovery of Human Topoisomerase IIa Catalytic Inhibitors.

description: Small molecule binding data for protein Topoisomerase II alpha (HuTopoIIα), Uniprot P11388
DOI: 10.7270/q2sf2xks
title: BindingDB Entry 50043353: Autotaxin inhibition: development and application of computational tools to identify site-selective lead compounds.

description: Small molecule binding data for protein Autotaxin, Uniprot Q13822
DOI: 10.7270/q2sn0bh5
title: BindingDB Entry 50044487: Functionally selective dopamine D2, D3 receptor partial agonists.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), Dopamine D1 and D2 receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P21728, P28223, and P35462
DOI: 10.7270/q2sn0bnz
title: BindingDB Entry 50045472: Discovery of novel Bruton's tyrosine kinase (BTK) inhibitors bearing a pyrrolo[2,3-d]pyrimidine scaffold.

description: Small molecule binding data for protein Tyrosine-protein kinase BTK, Uniprot Q06187
DOI: 10.7270/q2sx6ftg
title: BindingDB Entry 50045021: Total synthesis of clavatadine A.

description: Small molecule binding data for protein Coagulation factor XI, Uniprot P03951
DOI: 10.7270/q2ws8w0d
title: BindingDB Entry 50045982: Tying up Nicotine: New Selective Competitive Antagonist of the Neuronal Nicotinic Acetylcholine Receptors.

description: Small molecule binding data for protein Neuronal acetylcholine receptor, Uniprot Q05941
DOI: 10.7270/q2x63pcd
title: BindingDB Entry 50043352: Quercitylcinnamates, a new series of antidiabetic bioconjugates possessinga-glucosidase inhibition and antioxidant.

description: Small molecule binding data for protein Acidic alpha-glucosidase and alpha-Glucosidase (α-Glucosidase), Uniprot P23739 and Q6P7A9
DOI: 10.7270/q2xd137w
title: BindingDB Entry 50044486: Bazedoxifene-scaffold-based mimetics of solomonsterols A and B as novel pregnane X receptor antagonists.

description: Small molecule binding data for protein Pregnane X receptor (PXR), Uniprot O75469
DOI: 10.7270/q2xk8h6s
title: BindingDB Entry 50045020: (7-Benzyloxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acids as S1P1 Functional Antagonists.

description: Small molecule binding data for protein 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, Sphingosine 1-phosphate receptor 1, Sphingosine 1-phosphate receptor 1 (S1P1), Sphingosine 1-phosphate receptor 3, and Sphingosine-1-phosphate receptor 1, Uniprot O08530, O95136, O95977, P05177, P08684, P10635, P11712, P21453, P33261, P48303, Q99500, and Q9H228
DOI: 10.7270/q20k2b9d
title: BindingDB Entry 50045989: Structure-Activity Relationships of (+)-Naltrexone-Inspired Toll-like Receptor 4 (TLR4) Antagonists.

description: Small molecule binding data for protein Toll-like receptor 4/MD-2/CD14, Uniprot Q9QUK6
DOI: 10.7270/q2154jmv
title: BindingDB Entry 50044493: Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.

description: Small molecule binding data for protein Retinol-binding protein 4 (RBP4), Uniprot P02753
DOI: 10.7270/q2154jq6
title: BindingDB Entry 50045478: Transporter-mediated tissue targeting of therapeutic molecules in drug discovery.

description: Small molecule binding data for protein Sodium/glucose cotransporter 2 (SGLT2), Uniprot P31639
DOI: 10.7270/q21c1zhd
title: BindingDB Entry 50045027: Discovery of potent 1H-imidazo[4,5-b]pyridine-based c-Met kinase inhibitors via mechanism-directed structural optimization.

description: Small molecule binding data for protein Hepatocyte growth factor receptor, Uniprot P08581
DOI: 10.7270/q24b3314
title: BindingDB Entry 50045988: Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa) from Natural Product Anabaenopeptin.

description: Small molecule binding data for protein Carboxypeptidase A1, Carboxypeptidase N, catalytic subunit, Coagulation factor VII, Coagulation factor X/antithrombin III, Coagulation factor XI, Cytochrome P450 3A, Prothrombin, Thrombin-activable fibrinolysis inhibitor (TAFIa), Thrombin-activatable fibrinolysis (TAFI), and Voltage-gated potassium channel, Uniprot P00734, P00742, P03951, P08684, P08709, P15085, P15086, P15169, Q12809, and Q96IY4
DOI: 10.7270/q24q7wfb
title: BindingDB Entry 50043358: Identification of NVP-TNKS656: the use of structure-efficiency relationships to generate a highly potent, selective, and orally active tankyrase inhibitor.

description: Small molecule binding data for protein Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2), Protein Wnt-3a, and poly-ADP-ribose polymerase 1 (PARP1), Uniprot P09874, P56704, and Q9UGN5
DOI: 10.7270/q24t6m2r
title: BindingDB Entry 50045477: Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P37136
DOI: 10.7270/q24x59cq
title: BindingDB Entry 50044492: Optimization of ketone-based P2Y(12) receptor antagonists as antithrombotic agents: pharmacodynamics and receptor kinetics considerations.

description: Small molecule binding data for protein Purinergic receptor P2Y12, Uniprot Q9H244
DOI: 10.7270/q2542q6p
title: BindingDB Entry 50045026: Discovery and SAR study of 2-(4-pyridylamino)thieno[3,2-d]pyrimidin-4(3H)-ones as soluble and highly potent PDE7 inhibitors.

description: Small molecule binding data for protein Phosphodiesterase 3 (PDE3), Phosphodiesterase 7, cAMP-specific 3',5'-cyclic phosphodiesterase 4B, and cGMP-specific 3',5'-cyclic phosphodiesterase, Uniprot O76074, Q07343, Q13946, and Q14432
DOI: 10.7270/q279466k
title: BindingDB Entry 50043993: Novel inhibitors of alpha 4 beta 1 integrin receptor interactions through library synthesis and screening.

description: Small molecule binding data for protein Fibronectin receptor beta/Integrin alpha-4, Uniprot P05556 and P13612
DOI: 10.7270/q28054ck
title: BindingDB Entry 50045987: Pyrimethamine Derivatives: Insight into Binding Mechanism and Improved Enhancement of Mutantß-N-acetylhexosaminidase Activity.

description: Small molecule binding data for protein Beta-hexosaminidase subunit alpha (HexA) and Beta-hexosaminidase subunit beta (Hex B), Uniprot P06865 and P07686
DOI: 10.7270/q28w3fxp
title: BindingDB Entry 50045025: 5Z-7-Oxozeaenol covalently binds to MAP2K7 at Cys218 in an unprecedented manner.

description: Small molecule binding data for protein Dual specificity mitogen-activated protein kinase kinase 1, Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7), MAP kinase ERK2, and TAK1/TAB1, Uniprot O14733, O43318, P28482, and Q02750
DOI: 10.7270/q2c24xxh
title: BindingDB Entry 50043992: TBA

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Uniprot P09483 and P12390
DOI: 10.7270/q2cr5w3m
title: BindingDB Entry 50045986: De Novo Conception of Small Molecule Modulators Based on Endogenous Peptide Ligands: Pyrrolodiazepin-2-one¿-Turn Mimics That Differentially Modulate Urotensin II Receptor-Mediated Vasoconstriction ex Vivo.

description: Small molecule binding data for protein UTS2R, Uniprot P49684
DOI: 10.7270/q2d79cvx
title: BindingDB Entry 50043356: Atropisomeric 4-phenyl-4H-1,2,4-triazoles as selective glycine transporter 1 inhibitors.

description: Small molecule binding data for protein Glycine transporter 1, Glycine transporter 2, and Glycine-1-transporter, Uniprot P28572, P48067, and P58295
DOI: 10.7270/q2dn46pv
title: BindingDB Entry 50045024: Microwave-assisted synthesis and biological evaluation of 3,4-diaryl maleic anhydride/N-substituted maleimide derivatives as combretastatin A-4 analogues.

description: Small molecule binding data for protein Tubulin, Uniprot Q6B856
DOI: 10.7270/q2h70hct
title: BindingDB Entry 50044497: The design and synthesis of novel SGLT2 inhibitors: C-glycosides with benzyltriazolopyridinone and phenylhydantoin as the aglycone moieties.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Sodium/glucose cotransporter 1 (SGLT1), and Sodium/glucose cotransporter 2 (SGLT2), Uniprot P05177, P08684, P10635, P11712, P13866, P20813, P31639, and P33261
DOI: 10.7270/q2hx1f3p
title: BindingDB Entry 50043355: Structure-activity relationship studies of Niemann-Pick type C1-like 1 (NPC1L1) ligands identified by screening assay monitoring pharmacological chaperone effect.

description: Small molecule binding data for protein Niemann-Pick C1 protein, Uniprot O15118
DOI: 10.7270/q2mg7r17
title: BindingDB Entry 50043990: TBA

description: Small molecule binding data for protein Adenosine A2 receptor and Histamine H1 receptor, Uniprot P29276, P30543, and P31390
DOI: 10.7270/q2mw2jqz
title: BindingDB Entry 50044496: Novel estrogen receptor (ER) modulators containing various hydrophobic bent-core structures.

description: Small molecule binding data for protein Estradiol receptor alpha (ERα), Uniprot P03372
DOI: 10.7270/q2mw2jt9
title: BindingDB Entry 50045481: Marine natural products as inhibitors of cystathionine beta-synthase activity.

description: Small molecule binding data for protein Cystathionine beta-synthase, Uniprot P35520,P0DN79
DOI: 10.7270/q2n87cjn
title: BindingDB Entry 50045984: Indole based peptidomimetics as anti-inflammatory and anti-hyperalgesic agents: Dual inhibition of 5-LOX and COX-2 enzymes.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2np25t0
title: BindingDB Entry 50043354: Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, and Phosphatidylinositol 3-kinase catalytic subunit type 3, Uniprot O00329, P05177, P10635, P11712, P33261, P42336, P42338, P48736, and Q8NEB9
DOI: 10.7270/q2r78gq3
title: BindingDB Entry 50043988: Identification of human presequence protease (hPreP) agonists for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Presequence protease, mitochondrial, Uniprot Q5JRX3
DOI: 10.7270/q2rn39d7
title: BindingDB Entry 50044495: Novel benzimidazole derivatives as phosphodiesterase 10A (PDE10A) inhibitors with improved metabolic stability.

description: Small molecule binding data for protein cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, Uniprot Q9Y233
DOI: 10.7270/q2rn39j1
title: BindingDB Entry 50045480: Rational design, synthesis and structure-activity relationships of 4-alkoxy- and 4-acyloxy-phenylethylenethiosemicarbazone analogues as novel tyrosinase inhibitors.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2rx9dqj
title: BindingDB Entry 50045029: Sulfonamides as multifunctional agents for Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P06276 and P22303
DOI: 10.7270/q2w097ft
title: BindingDB Entry 50043987: Design, synthesis and biological evaluation of D-ring opened galantamine analogs as multifunctional anti-Alzheimer agents.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2wd424z
title: BindingDB Entry 50044494: Discovery of 3-aryl-3-ethoxypropanoic acids as orally active GPR40 agonists.

description: Small molecule binding data for protein Free fatty acid receptor 1, Uniprot O14842 and Q8K3T4
DOI: 10.7270/q2wd428r
title: BindingDB Entry 50045479: Discovery of novel 2-(alkylmorpholin-4-yl)-6-(3-fluoropyridin-4-yl)-pyrimidin-4(3H)-ones as orally-active GSK-3ß inhibitors for Alzheimer's disease.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Glycogen synthase kinase-3, Uniprot P05177, P08684, P10635, and P49841
DOI: 10.7270/q2wq05dc
title: BindingDB Entry 50045028: Potent and selective MAO-B inhibitory activity: amino- versus nitro-3-arylcoumarin derivatives.

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/q2057hhx
title: BindingDB Entry 50044501: Synthesis andß-glucuronidase inhibitory activity of 2-arylquinazolin-4(3H)-ones.

description: Small molecule binding data for protein beta-Glucuronidase (β-glucuronidase), Uniprot P08236
DOI: 10.7270/q2057hnq
title: BindingDB Entry 50045486: Discovery and SAR of novel series of imidazopyrimidinones and dihydroimidazopyrimidinones as positive allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5).

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, GRM7, GRM8, Metabotropic glutamate receptor, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 6, and metabotropic glutamate 1c, Uniprot O00222, O15303, P05177, P08684, P10635, P11712, P31424, Q13255, Q14416, Q14831, Q14832, and Q14833