cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2zs2xqk
title: BindingDB Entry 50041262: Novel nonnucleoside inhibitors of HIV-1 reverse transcriptase. 8. 8-Aryloxymethyl- and 8-arylthiomethyldipyridodiazepinones.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q2zw1ncf
title: BindingDB Entry 50043576: Structure-guided design of potent diazobenzene inhibitors for the BET bromodomains.

description: Small molecule binding data for protein Bromodomain adjacent to zinc finger domain protein 2B, Bromodomain-containing protein 3, Bromodomain-containing protein 4, Bromodomain-containing protein 7, CREB-binding protein/p53, Histone acetyltransferase PCAF, Nucleosome-remodeling factor subunit BPTF, and Transcription activator BRG1, Uniprot O60885, P51532, Q12830, Q15059, Q92793, Q92831, Q9ESU6, Q9NPI1, and Q9UIF8
DOI: 10.7270/q20866nn
title: BindingDB Entry 50042531: Optimized S-trityl-L-cysteine-based inhibitors of kinesin spindle protein with potent in vivo antitumor activity in lung cancer xenograft models.

description: Small molecule binding data for protein Kinesin-like protein 1 and Voltage-gated potassium channel, Uniprot P52732 and Q12809
DOI: 10.7270/q20p11f4
title: BindingDB Entry 50043034: Synthesis and antiproliferative activity of 4-substituted-piperazine-1-carbodithioate derivatives of 2,4-diaminoquinazoline.

description: Small molecule binding data for protein Dihydrofolate reductase and Thymidylate synthase, Uniprot P00374 and P04818
DOI: 10.7270/q22j6d3b
title: BindingDB Entry 50041269: Design, synthesis, and biological activity of prazosin-related antagonists. Role of the piperazine and furan units of prazosin on the selectivity for alpha1-adrenoreceptor subtypes.

description: Small molecule binding data for protein Alpha adrenergic receptor 1A and 1B, Alpha-1A adrenergic receptor, and Alpha-1D adrenergic receptor, Uniprot P15823, P23944, and P43140
DOI: 10.7270/q22n53rs
title: BindingDB Entry 50043583: Synthesis and evaluation in monkey of [(18)F]4-fluoro-N-methyl-N-(4-(6-(methylamino)pyrimidin-4-yl)thiazol-2-yl)benzamide ([(18)F]FIMX): a promising radioligand for PET imaging of brain metabotropic glutamate receptor 1 (mGluR1).

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Histamine H1 receptor, Metabotropic glutamate receptor 5, Serotonin 3 (5-HT3) receptor, Sigma, and Translocator protein, Uniprot P14416, P30536, P35367, P41594, P46098, and Q99720
DOI: 10.7270/q23j3f11
title: BindingDB Entry 50040276: Discovery of Phenylaminopyridine Derivatives as Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors.

description: Small molecule binding data for protein Voltage-gated potassium channel, Uniprot Q12809
DOI: 10.7270/q25h7hjc
title: BindingDB Entry 50042007: Differential effects of the optical isomers of KR30031 on cardiotoxicity and on multidrug resistance reversal activity.

description: Small molecule binding data for protein P-glycoprotein 1, Uniprot P08183
DOI: 10.7270/q26d5vfp
title: BindingDB Entry 50043582: 2'-Deoxyuridine 5'-monophosphate substrate displacement in thymidylate synthase through 6-hydroxy-2H-naphtho[1,8-bc]furan-2-one derivatives.

description: Small molecule binding data for protein Thymidylate Synthase (TS) and Thymidylate synthase, Uniprot P00469, P04818, and P13100
DOI: 10.7270/q27945rb
title: BindingDB Entry 50040275: Identification of Hydroxybenzoic Acids as Selective Lactate Receptor (GPR81) Agonists with Antilipolytic Effects.

description: Small molecule binding data for protein G-protein coupled receptor 81, Hydroxycarboxylic acid receptor 1, Hydroxycarboxylic acid receptor 2, and Protein Hcar1, Uniprot Q8C131, Q8TDS4, and Q9BXC0
DOI: 10.7270/q27p90j8
title: BindingDB Entry 50040778: Chemical subtleties in small-molecule modulation of peptide receptor function: the case of CXCR3 biaryl-type ligands.

description: Small molecule binding data for protein chemokine (C-X-C motif) receptor 3, Uniprot P49682
DOI: 10.7270/q2b27whj
title: BindingDB Entry 50041267: Pharmacophoric search and 3D-QSAR comparative molecular field analysis studies on agonists of melatonin sheep receptors.

description: Small molecule binding data for protein Melatonin receptor, Uniprot P48039
DOI: 10.7270/q2bk1dpw
title: BindingDB Entry 50042536: Novel triaryl sulfonamide derivatives as selective cannabinoid receptor 2 inverse agonists and osteoclast inhibitors: discovery, optimization, and biological evaluation.

description: Small molecule binding data for protein Cannabinoid receptor 1 and Cannabinoid receptor 2, Uniprot P21554 and P34972
DOI: 10.7270/q2c24xh4
title: BindingDB Entry 50040274: RXR Partial Agonist CBt-PMN Exerts Therapeutic Effects on Type 2 Diabetes without the Side Effects of RXR Full Agonists.

description: Small molecule binding data for protein RXR alpha/PPAR gamma, Uniprot P19793
DOI: 10.7270/q2cf9r8m
title: BindingDB Entry 50040777: Phenyltetrahydroisoquinoline-pyridinaldoxime conjugates as efficient uncharged reactivators for the dephosphylation of inhibited human acetylcholinesterase.

description: Small molecule binding data for protein Acetylcholinesterase, Uniprot P22303
DOI: 10.7270/q2cv4k40
title: BindingDB Entry 50043031: Identification of C-2 hydroxyethyl imidazopyrrolopyridines as potent JAK1 inhibitors with favorable physicochemical properties and high selectivity over JAK2.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), JAK3/JAK1, Tyrosine-protein kinase JAK1, and Tyrosine-protein kinase JAK2, Uniprot O60674, P05177, P10635, P11712, P23458, P33261, and P52333
DOI: 10.7270/q2f1910t
title: BindingDB Entry 50042005: A transfected cell model for the renal toxin transporter, rOCT2.

description: Small molecule binding data for protein Adrenaline alpha2, Uniprot Q9R0W2
DOI: 10.7270/q2ft8n7z
title: BindingDB Entry 50041266: Synthesis and evaluation of N-[11C]methylated analogues of epibatidine as tracers for positron emission tomographic studies of nicotinic acetylcholine receptors.

description: Small molecule binding data for protein Cholinergic, Nicotinic Muscle, Uniprot P43144
DOI: 10.7270/q2g73g26
title: BindingDB Entry 50042535: Selective mGAT2 (BGT-1) GABA uptake inhibitors: design, synthesis, and pharmacological characterization.

description: Small molecule binding data for protein GABA transporter, Uniprot P31648, P31649, P31650, and P31651
DOI: 10.7270/q2h70h0w
title: BindingDB Entry 50040776: Design, synthesis, and antidiabetic activity of 4-phenoxynicotinamide and 4-phenoxypyrimidine-5-carboxamide derivatives as potent and orally efficacious TGR5 agonists.

description: Small molecule binding data for protein G-protein coupled bile acid receptor 1, Uniprot Q80SS6 and Q8TDU6
DOI: 10.7270/q2hm59tv
title: BindingDB Entry 50043030: Binding mechanism of the farnesoid X receptor marine antagonist suvanine reveals a strategy to forestall drug modulation on nuclear receptors. Design, synthesis, and biological evaluation of novel ligands.

description: Small molecule binding data for protein Bile acid receptor FXR, Uniprot Q96RI1
DOI: 10.7270/q2jq12fv
title: BindingDB Entry 50043587: Design and synthesis of aryl sulfonamide-based nonsteroidal 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/q2kh0pjh
title: BindingDB Entry 50041265: Universal template approach to drug design: polyamines as selective muscarinic receptor antagonists.

description: Small molecule binding data for protein Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M4, and Muscarinic receptor M2 and M3, Uniprot P08482, P08483, P08485, and P10980
DOI: 10.7270/q2m046r2
title: BindingDB Entry 50042534: Design and optimization of selective protein kinase C¿ (PKC¿) inhibitors for the treatment of autoimmune diseases.

description: Small molecule binding data for protein C-RAF, Mitogen-activated protein kinase 3, PKC alpha and beta-2, Protein kinase C (PKC), Protein kinase C alpha type, Protein kinase C delta type, Protein kinase C theta type, Protein kinase C, epsilon, Protein kinase C, eta, Protein kinase C, gamma, SRC, Serine/threonine-protein kinase D1, Tyrosine-protein kinase ITK/TSK, and Tyrosine-protein kinase ZAP-70, Uniprot P04049, P05129, P05771, P06239, P06241, P07948, P17252, P24723, P27361, P43403, Q02156, Q04759, Q05513, Q05655, Q08881, and Q15139
DOI: 10.7270/q2n017pr
title: BindingDB Entry 50040775: Mimicking the intramolecular hydrogen bond: synthesis, biological evaluation, and molecular modeling of benzoxazines and quinazolines as potential antimalarial agents.

description: Small molecule binding data for protein Chloroquine resistance transporter and Voltage-gated potassium channel, Uniprot Q12809 and Q9N623
DOI: 10.7270/q2nc62k1
title: BindingDB Entry 50043029: Discovery of novel bromophenol 3,4-dibromo-5-(2-bromo-3,4-dihydroxy-6-(isobutoxymethyl)benzyl)benzene-1,2-diol as protein tyrosine phosphatase 1B inhibitor and its anti-diabetic properties in C57BL/KsJ-db/db mice.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2pg1t56
title: BindingDB Entry 50043586: Acetylcholinesterase inhibitors as Alzheimer therapy: from nerve toxins to neuroprotection.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275, P23795, and P81908
DOI: 10.7270/q2pk0hfq
title: BindingDB Entry 50042003: Trans-stimulation effects of folic acid derivatives on methotrexate transport by rat renal organic anion transporter, OAT-K1.

description: Small molecule binding data for protein Solute carrier organic anion transporter family member 1A3, Uniprot P70502
DOI: 10.7270/q2q81f87
title: BindingDB Entry 50041264: Structure-based design of cathepsin K inhibitors containing a benzyloxy-substituted benzoyl peptidomimetic.

description: Small molecule binding data for protein Cathepsin K, Uniprot P43235
DOI: 10.7270/q2qr4zfn
title: BindingDB Entry 50042533: Discovery of 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an orally bioavailable, potent inhibitor of Akt kinases.

description: Small molecule binding data for protein AKT/p21CIP1, Rho-associated protein kinase, Serine/threonine-protein kinase AKT, and Voltage-gated potassium channel, Uniprot O75116, P31749, P31751, Q12809, Q13464, and Q9Y243
DOI: 10.7270/q2rn3919
title: BindingDB Entry 50040774: Synthesis and biological characterization of 3-substituted 1H-indoles as ligands of GluN2B-containing N-methyl-D-aspartate receptors. Part 2.

description: Small molecule binding data for protein Glutamate [NMDA] receptor subunit epsilon 2/zeta 1 and N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B), Uniprot P35439 and Q00960
DOI: 10.7270/q2t72jwh
title: BindingDB Entry 50043585: Thiazole-aminopiperidine hybrid analogues: design and synthesis of novel Mycobacterium tuberculosis GyrB inhibitors.

description: Small molecule binding data for protein DNA gyrase subunit B, Uniprot P0C559
DOI: 10.7270/q2vh5q5c
title: BindingDB Entry 50042532: Discovery of 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole (AZ20): a potent and selective inhibitor of ATR protein kinase with monotherapy in vivo antitumor activity.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, DNA-dependent protein kinase, PI3-kinase subunit alpha, Serine-protein kinase ATM, Serine/threonine-protein kinase ATR, Serine/threonine-protein kinase mTOR, and Voltage-gated potassium channel, Uniprot P05177, P08684, P10635, P11712, P33261, P42336, P42345, P78527, Q12809, Q13315, and Q13535
DOI: 10.7270/q2wd41q5
title: BindingDB Entry 50040773: Synthesis and biological evaluation (in vitro and in vivo) of cyclic arginine-glycine-aspartate (RGD) peptidomimetic-paclitaxel conjugates targeting integrinaVß3.

description: Small molecule binding data for protein Integrin beta-3/Vitronectin receptor alpha and Integrin beta-5/Vitronectin receptor alpha, Uniprot P05106, P06756, and P18084
DOI: 10.7270/q2z039ks
title: BindingDB Entry 50043584: Discovery of novel PTP1B inhibitors via pharmacophore-oriented scaffold hopping from Ertiprotafib.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2057h23
title: BindingDB Entry 50040780: Rational design of highly selective spleen tyrosine kinase inhibitors.

description: Small molecule binding data for protein Tyrosine-protein kinase SYK and Vascular endothelial growth factor receptor 2, Uniprot P35968 and P43405
DOI: 10.7270/q21r6rzf
title: BindingDB Entry 50043591: Synthesis and evaluation of multi-target-directed ligands against Alzheimer's disease based on the fusion of donepezil and ebselen.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q21v5g7c
title: BindingDB Entry 50042008: Identification of lactate as a driving force for prostanoid transport by prostaglandin transporter PGT.

description: Small molecule binding data for protein Prostaglandin Transporter, Uniprot Q92959
DOI: 10.7270/q2319x7m
title: BindingDB Entry 50042538: Discovery of novel Trypanosoma brucei phosphodiesterase B1 inhibitors by virtual screening against the unliganded TbrPDEB1 crystal structure.

description: Small molecule binding data for protein Class I phosphodiesterase B1 (TbrPDEB1) and cAMP-specific 3',5'-cyclic phosphodiesterase 4B, Uniprot Q07343
DOI: 10.7270/q23x87s3
title: BindingDB Entry 50040779: Carbamate derivatives of indolines as cholinesterase inhibitors and antioxidants for the treatment of Alzheimer's disease.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot P23795 and Q9N1N9
DOI: 10.7270/q24f1s5g
title: BindingDB Entry 50043033: Discovery of 2-{3-[2-(1-isopropyl-3-methyl-1H-1,2-4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl]-1H-pyrazol-1-yl}-2-methylpropanamide (GDC-0032): aß-sparing phosphoinositide 3-kinase inhibitor with high unbound exposure and robust in vivo antitumor activity.

description: Small molecule binding data for protein DNA-dependent protein kinase, PI3-kinase subunit alpha, PI3-kinase subunit beta, PI3-kinase subunit delta, PI3-kinase subunit gamma, Phosphatidylinositol 3-kinase catalytic subunit type 3, Phosphatidylinositol 4-phosphate 3-kinase C2 alpha (PIK3C2A), Phosphatidylinositol-4-phosphate 3-kinase C2 domain-containing beta polypeptide, and Serine/threonine-protein kinase mTOR, Uniprot O00329, O00443, O00750, P42336, P42338, P42345, P48736, P78527, and Q8NEB9
DOI: 10.7270/q25d8t99
title: BindingDB Entry 50043590: Scorpiand-like azamacrocycles prevent the chronic establishment of Trypanosoma cruzi in a murine model.

description: Small molecule binding data for protein Superoxide dismutase, Uniprot P00441
DOI: 10.7270/q26974tn
title: BindingDB Entry 50041268: Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites.

description: Small molecule binding data for protein Cathepsin K and Papain, Uniprot P00784 and P43235
DOI: 10.7270/q26t0p01
title: BindingDB Entry 50042537: A nonionic inhibitor with high specificity for the UDP-Gal donor binding site of human blood group B galactosyltransferase: design, synthesis, and characterization.

description: Small molecule binding data for protein Histo-blood group ABO system transferase, Uniprot P16442
DOI: 10.7270/q2862hvb
title: BindingDB Entry 50043032: Development of oleanane-type triterpenes as a new class of HCV entry inhibitors.

description: Small molecule binding data for protein CD81 antigen, Uniprot P60033
DOI: 10.15156/bio/sh275885.07fu
title: SH275885.07FU

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/sh275886.07fu
title: SH275886.07FU

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/sh275887.07fu
title: SH275887.07FU

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/sh275888.07fu
title: SH275888.07FU

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/sh275889.07fu
title: SH275889.07FU

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/sh275890.07fu
title: SH275890.07FU

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/sh275891.07fu
title: SH275891.07FU

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.