cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15156/bio/sh0938928.10fu
title: SH0938928.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh0938929.10fu
title: SH0938929.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh0938930.10fu
title: SH0938930.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.7270/q21j9bj5
title: BindingDB Entry 50037685: Discovery of novel and selective tertiary alcohol containing inhibitors of the norepinephrine transporter.

description: Small molecule binding data for protein Sodium-dependent noradrenaline transporter, Uniprot P23975
DOI: 10.7270/q22j6cn3
title: BindingDB Entry 50037676: Diadenosine and diuridine poly(borano)phosphate analogues: synthesis, chemical and enzymatic stability, and activity at P2Y1 and P2Y2 receptors.

description: Small molecule binding data for protein Purinergic receptor P2Y1 and Purinergic receptor P2Y2, Uniprot P41231, P41232, P47900, and P49651
DOI: 10.7270/q22z164j
title: BindingDB Entry 50035888: Synthesis of a new class of 2,3-dihydro-2-oxo-1H-benzimidazole-1-carboxylic acid derivatives as highly potent 5-HT3 receptor antagonists.

description: Small molecule binding data for protein Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot P35563 and Q9JJ16
DOI: 10.7270/q23n23wr
title: BindingDB Entry 50035034: Cleavage of the cyclohexyl-subunit of rapamycin results in loss of immunosuppressive activity.

description: Small molecule binding data for protein Mammalian target of Rapamycin (mTORC1), Uniprot P62942
DOI: 10.7270/q23t9hz0
title: BindingDB Entry 50036779: A series of 6- and 7-piperazinyl- and -piperidinylmethylbenzoxazinones with dopamine D4 antagonist activity: discovery of a potential atypical antipsychotic agent.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A, Adrenergic receptor alpha-2, Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, Alpha-2A adrenergic receptor, Dopamine receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Dopamine receptors; D2 & D4, Muscarinic acetylcholine receptor M1/M5 chimeric protein, OPIATE Sigma, and Sigma, Uniprot P08908, P08912, P08913, P14416, P15823, P19328, P21917, P35462, P43140, Q99720, and Q9R0C9
DOI: 10.7270/q23x87jz
title: BindingDB Entry 50038570: Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. Part 6: Opioid receptor binding properties of cyclic variants of 8-carboxamidocyclazocine.

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/q24m95h8
title: BindingDB Entry 50039465: Nicotinic Acetylcholine Receptor Efficacy and Pharmacological Properties of 3-(Substituted phenyl)-2ß-substituted Tropanes.

description: Small molecule binding data for protein Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit, Serotonin and norepinephrine transporters (SERT/NET), Sodium-dependent dopamine transporter, and Sodium-dependent noradrenaline transporter, Uniprot P17787, P23975, P31645, P43681, and Q01959
DOI: 10.7270/q26q1xvg
title: BindingDB Entry 50035886: Potent inhibition of thymidylate synthase by two series of nonclassical quinazolines.

description: Small molecule binding data for protein Dihydrofolate reductase and Thymidylate synthase, Uniprot P00374 and P07607
DOI: 10.7270/q2794565
title: BindingDB Entry 50035033: The LMC delta opioid recognition pharmacophore: comparison of SNC80 and oxymorphindole.

description: Small molecule binding data for protein Opioid receptors; mu & delta, Uniprot P33533
DOI: 10.7270/q27m08nt
title: BindingDB Entry 50036778: Binding constants of neuraminidase inhibitors: An investigation of the linear interaction energy method.

description: Small molecule binding data for protein Neuraminidase A, Uniprot P03468
DOI: 10.7270/q27p9094
title: BindingDB Entry 50038569: Design and microwave-assisted synthesis of novel macrocyclic peptides active at melanocortin receptors: discovery of potent and selective hMC5R receptor antagonists.

description: Small molecule binding data for protein Melanocortin receptor 3 (MC3R), Melanocortin receptor 4, Melanocortin receptor 5 (MC5R), and Melanocyte-stimulating hormone receptor, Uniprot P32245, P33032, P41968, and Q01726
DOI: 10.7270/q28c9x7m
title: BindingDB Entry 50039430: Antifolate and antiproliferative activity of 6,8,10-triazaspiro[4.5]deca-6,8-dienes and 1,3,5-triazaspiro[5.5]undeca-1,3-dienes.

description: Small molecule binding data for protein Dihydrofolate reductase (DHFR), Uniprot P00376
DOI: 10.7270/q2bg2pmn
title: BindingDB Entry 50035885: Synthesis of 3-arylecgonine analogues as inhibitors of cocaine binding and dopamine uptake.

description: Small molecule binding data for protein SLC6A3, Uniprot P27922
DOI: 10.7270/q2c24wx3
title: BindingDB Entry 50035032: Synthesis of potent and selective inhibitors of human plasma kallikrein.

description: Small molecule binding data for protein Kallikrein-1 (KLK1), Plasma kallikrein (KLKB1), and Plasmin, Uniprot P03952, P06870, and Q01177
DOI: 10.7270/q2c82b0p
title: BindingDB Entry 50036777: Synthesis and SAR of adatanserin: novel adamantyl aryl- and heteroarylpiperazines with dual serotonin 5-HT(1A) and 5-HT(2) activity as potential anxiolytic and antidepressant agents.

description: Small molecule binding data for protein Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor and Serotonin (5-HT) receptor, Uniprot P19327 and P61169
DOI: 10.7270/q2cf9r1g
title: BindingDB Entry 50038568: Ring size of somatostatin analogues (ODT-8) modulates receptor selectivity and binding affinity.

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P30872, P30874, P31391, P32745, and P35346
DOI: 10.7270/q2dv1kpb
title: BindingDB Entry 50037681: Discovery of 4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridin-2-yl}-N-(tetrahydro-2H- pyran-4-yl)benzamide (GW788388): a potent, selective, and orally active transforming growth factor-beta type I receptor inhibitor.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14 and TGF-beta receptor type I, Uniprot P36897 and Q16539
DOI: 10.7270/q2g73f9x
title: BindingDB Entry 50035884: 1,2-Dihydro-1-oxopyrrolo[3,2,1-kl]phenothiazine-2-carboxamides and congeners, dual cyclooxygenase/5-lipoxygenase inhibitors with antiinflammatory activity.

description: Small molecule binding data for protein Arachidonate 5-lipoxygenase, Uniprot P12527
DOI: 10.7270/q2gt5npz
title: BindingDB Entry 50035031: Delta opioid binding selectivity of 3-ether analogs of naltrindole.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, and P41144
DOI: 10.7270/q2h132pj
title: BindingDB Entry 50036775: Benzimidazole derivatives. 2. Synthesis and structure-activity relationships of new azabicyclic benzimidazole-4-carboxylic acid derivatives with affinity for serotoninergic 5-HT(3) receptors.

description: Small molecule binding data for protein HTR4 and Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot P35563, Q62758, and Q9JJ16
DOI: 10.7270/q2h70gqw
title: BindingDB Entry 50038567: Ring size in octreotide amide modulates differently agonist versus antagonist binding affinity and selectivity.

description: Small molecule binding data for protein Somatostatin receptor, Uniprot P30872, P30874, P31391, P32745, and P35346
DOI: 10.7270/q2hx1dpw
title: BindingDB Entry 50039428: Dimethyl-diphenyl-propanamide Derivatives As Nonsteroidal Dissociated Glucocorticoid Receptor Agonists.

description: Small molecule binding data for protein Androgen Receptor, Estradiol receptor alpha (ERα), Glucocorticoid receptor, Mineralocorticoid receptor (MR), and Progesterone receptor, Uniprot P03372, P04150, P06401, P08235, and P10275
DOI: 10.7270/q2jm2bfh
title: BindingDB Entry 50037680: Design, synthesis, and biological evaluation of semicarbazide-sensitive amine oxidase (SSAO) inhibitors with anti-inflammatory activity.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, and Vascular adhesion protein 1 (VAP-1), Uniprot O08590, P21397, and P27338
DOI: 10.7270/q2kw5gn2
title: BindingDB Entry 50035883: Water-soluble renin inhibitors: design of a subnanomolar inhibitor with a prolonged duration of action.

description: Small molecule binding data for protein Renin, Uniprot P00797
DOI: 10.7270/q2mk6ddp
title: BindingDB Entry 50035030: Optically pure (-)-4-[(N-allyl-3-methyl-4-piperidinyl)phenyl-amino]-N,N-diethylbenzami de displays selective binding and full agonist activity for the delta opioid receptor.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Nociceptin/mu opioid receptor, and mu/kappa opioid receptor, Uniprot P32300, P33535, P41143, P41144, P41145, and P97266
DOI: 10.7270/q2mp549p
title: BindingDB Entry 50039469: Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping.

description: Small molecule binding data for protein Solute carrier family 15 member 2, Uniprot Q16348
DOI: 10.7270/q2ms3tf1
title: BindingDB Entry 50036773: Synthesis and pharmacology of site-specific cocaine abuse treatment agents: 2-substituted-6-amino-5-phenylbicyclo[2.2.2]octanes.

description: Small molecule binding data for protein Dopamine Transporter (DAT), Norepinephrine Monoamine transporters, and Sodium-dependent serotonin transporter, Uniprot P23977 and P31652
DOI: 10.7270/q2n017d5
title: BindingDB Entry 50038566: Syntheses of 4,6'-epoxymorphinan derivatives and their pharmacologies.

description: Small molecule binding data for protein Delta-type opioid receptor, Mu-type opioid receptor, and mu/kappa opioid receptor, Uniprot P32300, P41144, and P42866
DOI: 10.7270/q2np25dm
title: BindingDB Entry 50039426: Indolin-2-one p38a inhibitors I: design, profiling and crystallographic binding mode.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Mitogen-activated protein kinase 14, Uniprot P05177, P10635, P11712, P33261, and Q16539
DOI: 10.7270/q2pc3357
title: BindingDB Entry 50037679: Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the transition-state mimicking scaffold.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 protease
DOI: 10.7270/q2qn67cs
title: BindingDB Entry 50035882: 5-Hydroxytryptamine (5-HT3) receptor antagonists. 1. Indazole and indolizine-3-carboxylic acid derivatives.

description: Small molecule binding data for protein Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor, Uniprot P35563 and Q9JJ16
DOI: 10.7270/q2qr4z0t
title: BindingDB Entry 50038573: Aminopyrazine CB1 receptor inverse agonists.

description: Small molecule binding data for protein Cannabinoid receptor, Cannabinoid receptor 1, and Cannabinoid receptor 2, Uniprot P20272, P21554, and P34972
DOI: 10.7270/q2rf5w11
title: BindingDB Entry 50039468: Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 2A (5-HT2A), 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, 5-hydroxytryptamine receptor 1B, Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, Beta-1 adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine receptor D2L/neurotensin receptor NTS1, Indoleamine 2,3-dioxygenase, Melatonin receptor, Serotonin (5-HT) receptor, Serotonin 3 (5-HT3) receptor, Serotonin and norepinephrine transporters (SERT/NET), Serotonin receptor (2b and 2c), Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and Tryptophan 2,3-dioxygenase, Uniprot P08588, P08908, P14416, P14902, P21397, P21728, P23975, P27338, P28222, P28223, P31645, P34969, P41595, P46098, P47898, P48039, P48775, P48776, P50406, and Q01959
DOI: 10.7270/q2rj4k5r
title: BindingDB Entry 50036772: Design and synthesis of novel alpha(1)(a) adrenoceptor-selective antagonists. 4. Structure-activity relationship in the dihydropyrimidine series.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P25100, P35348, P35368, and P43140
DOI: 10.7270/q2t154fs
title: BindingDB Entry 50037678: 4-Aminophenoxyacetic acids as a novel class of reversible cathepsin K inhibitors.

description: Small molecule binding data for protein Cathepsin K, Uniprot P43235
DOI: 10.7270/q2v40vqh
title: BindingDB Entry 50035036: Homoisofagomines: chemical-enzymatic synthesis and evaluation as alpha- and beta-glucosidase inhibitors.

description: Small molecule binding data for protein Glucocerebrosidase (Acid beta-Glucosidase) and Lysosomal alpha-glucosidase, Uniprot P04062 and P10253
DOI: 10.7270/q2vd701m
title: BindingDB Entry 50035881: 2-(Arylalkylamino)adenosin-5'-uronamides: a new class of highly selective adenosine A2 receptor ligands.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P25099
DOI: 10.7270/q2vd70c3
title: BindingDB Entry 50038572: The SAR studies of novel CB2 selective agonists, benzimidazolone derivatives.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2w959w2
title: BindingDB Entry 50036771: Design and synthesis of novel alpha(1)(a) adrenoceptor-selective antagonists. 1. Structure-activity relationship in dihydropyrimidinones.

description: Small molecule binding data for protein Adrenergic alpha1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P25100, P35348, P35368, and P43140
DOI: 10.7270/q2wd41g1
title: BindingDB Entry 50038564: Usimines A-C, bioactive usnic acid derivatives from the Antarctic lichen Stereocaulon alpinum.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2xs5w5t
title: BindingDB Entry 50037677: Synthesis and biological evaluation of purealin and analogues as cytoplasmic dynein heavy chain inhibitors.

description: Small molecule binding data for protein Dynein heavy chain, Uniprot P38650
DOI: 10.7270/q2z60pn5
title: BindingDB Entry 50035889: Synthesis and biological evaluation of new antimuscarinic compounds with amidine basic centers. A useful bioisosteric replacement of classical cationic heads.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1 and Muscarinic receptor M2 and M3, Uniprot P08482, P08483, and P10980
DOI: 10.7270/q2zw1mfx
title: BindingDB Entry 50035035: Nonpeptide small-molecular inhibitors of dipeptidyl peptidase IV: N-phenylphthalimide analogs.

description: Small molecule binding data for protein Aminopeptidase N and Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4), Uniprot P15144 and P27487
DOI: 10.7270/q200032r
title: BindingDB Entry 50039474: Synthesis of 6-[¹8F]fluoro-PBR28, a novel radiotracer for imaging the TSPO 18 kDa with PET.

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor and Translocator protein, Uniprot P16257 and P30536
DOI: 10.7270/q2028s8f
title: BindingDB Entry 50036780: Investigation of subsite preferences in aminopeptidase A (EC 3.4.11.7) led to the design of the first highly potent and selective inhibitors of this enzyme.

description: Small molecule binding data for protein Aminopeptidase A, Aminopeptidase N, Angiotensin-converting enzyme, and Neprilysin, Uniprot P08049, P15145, P47820, and Q07075
DOI: 10.7270/q20k29cw
title: BindingDB Entry 50037694: [2-11C]isopropyl-, [1-11C]ethyl-, and [11C]methyl-labeled phenoxyphenyl acetamide derivatives as positron emission tomography ligands for the peripheral benzodiazepine receptor: radiosynthesis, uptake, and in vivo binding in brain.

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor, Uniprot P16257
DOI: 10.7270/q21z451m
title: BindingDB Entry 50035896: Photoactivatable opiate derivatives as irreversible probes of the mu-opioid receptor.

description: Small molecule binding data for protein Nociceptin/mu opioid receptor, Opioid receptors; mu & delta, and mu/kappa opioid receptor, Uniprot P33533, P33535, and P41144
DOI: 10.7270/q22n52st
title: BindingDB Entry 50035042: Adenosine receptor ligands with oxygenated N6-substituents.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P30542
DOI: 10.7270/q22v2gt5
title: BindingDB Entry 50036789: Corticotropin-releasing hormone receptor antagonists: framework design and synthesis guided by ligand conformational studies.

description: Small molecule binding data for protein Corticotropin releasing factor receptor, Uniprot P35353
DOI: 10.7270/q22z16d4
title: BindingDB Entry 50038578: Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase, Acetylcholinesterase and butyrylcholinesterase (AChE and BChE), Butyrylcholinesterase, Butyrylcholinesterase (BuChE), and Cholinesterase, Uniprot O42275, P04058, P06276, P21836, P22303, P23795, P37136, P81908, and Q03311
DOI: 10.7270/q23n24dw
title: BindingDB Entry 50039473: Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitors.

description: Small molecule binding data for protein Histone deacetylase 1 and Voltage-gated potassium channel, Uniprot Q12809 and Q13547
DOI: 10.7270/q24b323m
title: BindingDB Entry 50037692: Orthogonal activation of the reengineered A3 adenosine receptor (neoceptor) using tailored nucleoside agonists.

description: Small molecule binding data for protein Adenosine receptor A3, Uniprot P0DMS8
DOI: 10.7270/q25b038f
title: BindingDB Entry 50037684: Refinement of the benzodiazepine receptor site topology by structure-activity relationships of new N-(heteroarylmethyl)indol-3-ylglyoxylamides.

description: Small molecule binding data for protein GABA receptor alpha-1/beta-2/gamma-2 subunit, GABA receptor alpha-2/beta-2/gamma-2 subunit, and GABA receptor alpha-5/beta-3/gamma-2 subunit, Uniprot P18508, P19969, P23576, P62813, P63079, and P63138
DOI: 10.7270/q25q4wq3
title: BindingDB Entry 50035895: Synthesis and structure-activity relationships of N,N'-di-o-tolylguanidine analogues, high-affinity ligands for the haloperidol-sensitive sigma receptor.

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q26d5tgq
title: BindingDB Entry 50035041: Bicyclo[3.2.1]octanes: synthesis and inhibition of binding at the dopamine and serotonin transporters.

description: Small molecule binding data for protein Dopamine transporter and Serotonin and norepinephrine transporters (SERT/NET), Uniprot P31645 and Q9GJT6
DOI: 10.7270/q26m37jw
title: BindingDB Entry 50036788: Aminopyridazines as acetylcholinesterase inhibitors.

description: Small molecule binding data for protein Acetylcholinesterase and Cholinesterase, Uniprot P04058, P06276, P22303, and P37136
DOI: 10.7270/q26q1z4g
title: BindingDB Entry 50038577: Synthesis, fluorine-18 radiolabeling, and in vitro characterization of 1-iodophenyl-N-methyl-N-fluoroalkyl-3-isoquinoline carboxamide derivatives as potential PET radioligands for imaging peripheral benzodiazepine receptor.

description: Small molecule binding data for protein Peripheral-Type Benzodiazepine Receptor and Translocator protein, Uniprot P16257 and P30536
DOI: 10.7270/q27d2w47
title: BindingDB Entry 50039472: Thiolactone modulators of quorum sensing revealed through library design and screening.

description: Small molecule binding data for protein Transcriptional activator protein lasR, Transcriptional activator protein luxR, and Transcriptional activator protein traR, Uniprot P12746, P25084, and P33905
DOI: 10.7270/q2833stj
title: BindingDB Entry 50037691: N6-ethyl-2-alkynyl NECAs, selective human A3 adenosine receptor agonists.

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/q2930tzx
title: BindingDB Entry 50037683: Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.

description: Small molecule binding data for protein Cytochrome P450 2D6 (2D6), Uniprot P10635
DOI: 10.7270/q29g5nft
title: BindingDB Entry 50035894: Synthesis and dopamine receptor affinities of 2-(4-fluoro-3- hydroxyphenyl)ethylamine and N-substituted derivatives.

description: Small molecule binding data for protein DOPAMINE and Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor, Uniprot P18901 and P61169