cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2v1266n
title: BindingDB Entry 50042834: Improved guanide compounds which bind the CXCR4 co-receptor and inhibit HIV-1 infection.

description: Small molecule binding data for protein C-X-C chemokine receptor type 4 (CXCR4), Uniprot P61073
DOI: 10.7270/q2v40wt8
title: BindingDB Entry 50044951: Rational design of novel CYP2A6 inhibitors.

description: Small molecule binding data for protein Cytochrome P450 2A6, Uniprot P11509
DOI: 10.7270/q2wh2rd3
title: BindingDB Entry 50043298: Tetrazole-based deoxyamodiaquines: synthesis, ADME/PK profiling and pharmacological evaluation as potential antimalarial agents.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Cytochrome P450 2E1, Uniprot P05177, P05181, P10632, P10635, P11509, P11712, P20813, and P33261
DOI: 10.7270/q2xp76kn
title: BindingDB Entry 50045409: The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase PIM and Voltage-gated potassium channel, Uniprot P11309, Q12809, Q86V86, and Q9P1W9
DOI: 10.7270/q2z89dxj
title: BindingDB Entry 50043909: Discovery of (1R,6S)-5-[4-(1-cyclobutyl-piperidin-4-yloxy)-phenyl]-3,4-diaza-bicyclo[4.1.0]hept-4-en-2-one (R,S-4a): histamine H(3) receptor inverse agonist demonstrating potent cognitive enhancing and wake promoting activity.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), and Histamine H3 receptor, Uniprot P05177, P10635, P11712, P33261, and Q9QYN8
DOI: 10.7270/q2zp47pk
title: BindingDB Entry 50044414: Aromatic diacylhydrazine derivatives as a new class of polo-like kinase 1 (PLK1) inhibitors.

description: Small molecule binding data for protein Serine/threonine-protein kinase PLK1, Uniprot P53350
DOI: 10.7270/q2zs2xwt
title: BindingDB Entry 50042833: Synthesis, structure-activity relationship studies, and identification of novel 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine derivatives as dual orexin receptor antagonists. Part 1.

description: Small molecule binding data for protein Orexin receptor 1 and Orexin receptor 2, Uniprot O43613, O43614, and S4X0W3
DOI: 10.7270/q2zw1nh7
title: BindingDB Entry 50044950: Synthesis, GluN2B affinity and selectivity of benzo[7]annulen-7-amines.

description: Small molecule binding data for protein Glutamate [NMDA] receptor subunit epsilon 2 and Sigma-1 receptor, Uniprot Q13224 and Q60492
DOI: 10.7270/q21g0nxq
title: BindingDB Entry 50045416: Development of 2-aminooxazoline 3-azaxanthenes as orally efficaciousß-secretase inhibitors for the potential treatment of Alzheimer's disease.

description: Small molecule binding data for protein Beta-secretase 1, Cathepsin D, and Voltage-gated potassium channel, Uniprot P07339, P56817, and Q12809
DOI: 10.7270/q2222w9g
title: BindingDB Entry 50043916: Development of novel tetrahydrothieno[2,3-c]pyridine-3-carboxamide based Mycobacterium tuberculosis pantothenate synthetase inhibitors: molecular hybridization from known antimycobacterial leads.

description: Small molecule binding data for protein Pantothenate synthetase, Uniprot P9WIL5
DOI: 10.7270/q22f7q02
title: BindingDB Entry 50044422: Synthesis of beta-spiro[pyrrolidinoindolines], their binding to the glycine receptor, and in vivo biological acitivity.

description: Small molecule binding data for protein Glycine, non-strychnine, Uniprot P07727
DOI: 10.7270/q22n53wk
title: BindingDB Entry 50044957: Malonate-based inhibitors of mammalian serine racemase: kinetic characterization and structure-based computational study.

description: Small molecule binding data for protein Serine racemase, Uniprot Q9QZX7
DOI: 10.7270/q2416zgb
title: BindingDB Entry 50043304: Lead identification of novel and selective TYK2 inhibitors.

description: Small molecule binding data for protein Cyclin-dependent kinase 9, 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, P50750, and P52333
DOI: 10.7270/q2542q8k
title: BindingDB Entry 50045415: Optimisation of in silico derived 2-aminobenzimidazole hits as unprecedented selective kappa opioid receptor agonists.

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/q25t3n0f
title: BindingDB Entry 50043915: Development of novel silicon-containing inverse agonists of retinoic acid receptor-related orphan receptors.

description: Small molecule binding data for protein Nuclear receptor ROR-alpha, Nuclear receptor ROR-beta, and Nuclear receptor ROR-gamma, Uniprot P35398, P51449, Q6I9R9, and Q92753
DOI: 10.7270/q2668fqc
title: BindingDB Entry 50044420: Synthesis and biological properties of some spin-labeled 9-aminoacridines.

description: Small molecule binding data for protein DNA-directed RNA polymerase subunit beta', Uniprot P0A8T7
DOI: 10.7270/q26d5vmx
title: BindingDB Entry 50044956: Synthesis and structure--activity relationship of new cytotoxic agents targeting human glutathione-S-transferases.

description: Small molecule binding data for protein Glutathione S-transferase Mu 2 and Glutathione transferase (GST), Uniprot P09211, P28161, and V9HWE9
DOI: 10.7270/q27s7q6r
title: BindingDB Entry 50043303: Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well asß²- epi-Azumamide E andß³-epi-Azumamide E.

description: Small molecule binding data for protein Nuclear receptor corepressor 1, Uniprot O75376
DOI: 10.7270/q28w3fz4
title: BindingDB Entry 50045414: Thiol-derivatized minihepcidins retain biological activity.

description: Small molecule binding data for protein Solute carrier family 40 member 1, Uniprot Q9NP59
DOI: 10.7270/q29w0h2g
title: BindingDB Entry 50044419: Conformationally restricted analogs of histamine H1 receptor antagonists: trans and cis-1-benzyl-3-dimethylamino-6-phenylpiperidine.

description: Small molecule binding data for protein Histamine N-methyltransferase, Uniprot Q9EST2
DOI: 10.7270/q2b56mc3
title: BindingDB Entry 50044955: Discovery of new 7-substituted-4-imidazolylmethyl coumarins and 4'-substituted-2-imidazolyl acetophenones open analogues as potent and selective inhibitors of steroid-11ß-hydroxylase.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 11B2, Cytochrome P450 17A1, and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P05093, P11511, P15538, and P19099
DOI: 10.7270/q2cj8fx2
title: BindingDB Entry 50043302: Highly potent and selective nonsteroidal dual inhibitors of CYP17/CYP11B2 for the treatment of prostate cancer to reduce risks of cardiovascular diseases.

description: Small molecule binding data for protein Aromatase (CYP19), Cytochrome P450 11B2, Cytochrome P450 17A1, and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P05093, P11511, P15538, and P19099
DOI: 10.7270/q2dn46q9
title: BindingDB Entry 50045413: Flavokawains B and C, melanogenesis inhibitors, isolated from the root of Piper methysticum and synthesis of analogs.

description: Small molecule binding data for protein Tyrosinase, Uniprot O42713
DOI: 10.7270/q2fn17rb
title: BindingDB Entry 50044418: Conformationally rigid amphetamine analogs as inhibitors of monoamine uptake by brain synaptosomes.

description: Small molecule binding data for protein Dopamine Transporter (DAT) and Transporter, Uniprot P23977
DOI: 10.7270/q2fq9xz1
title: BindingDB Entry 50042837: Discovery of 4-alkylamino-7-aryl-3-cyanoquinoline LRRK2 kinase inhibitors.

description: Small molecule binding data for protein Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Uniprot Q5S007
DOI: 10.7270/q2fx7c3h
title: BindingDB Entry 50044954: In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors.

description: Small molecule binding data for protein Monoamine Oxidase Type B (MAO-B) and Monoamine oxidase, Uniprot P19643 and P21396
DOI: 10.7270/q2h996mb
title: BindingDB Entry 50043301: Structure-based discovery of novel amide-containing nicotinamide phosphoribosyltransferase (nampt) inhibitors.

description: Small molecule binding data for protein Nicotinamide phosphoribosyltransferase, Uniprot P43490
DOI: 10.7270/q2j104pj
title: BindingDB Entry 50043920: TBA

description: Small molecule binding data for protein Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416
DOI: 10.7270/q2kd20fm
title: BindingDB Entry 50044417: Novel bis(benzamidino) compounds with an aromatic central link. Inhibitors of thrombin, pancreatic kallikrein, trypsin, and complement.

description: Small molecule binding data for protein Glandular kallikrein, Prothrombin, and Thrombin, Uniprot P00734, P00735, and P00752
DOI: 10.7270/q2kh0pp9
title: BindingDB Entry 50042836: Advances in the discovery of kinesin spindle protein (Eg5) inhibitors as antitumor agents.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2n017zb
title: BindingDB Entry 50043300: Toxoflavins and deazaflavins as the first reported selective small molecule inhibitors of tyrosyl-DNA phosphodiesterase II.

description: Small molecule binding data for protein Apurinic-apyrimidinic endonuclease 1 (APE-1), Cytochrome P450 1A, and tyrosyl-DNA phosphodiesterase 2, Uniprot O95551, P05177, and P27695
DOI: 10.7270/q2ns0wdk
title: BindingDB Entry 50043919: TBA

description: Small molecule binding data for protein Histone-lysine N-methyltransferase EHMT2, Histone-lysine N-methyltransferase SUV39H1, Histone-lysine N-methyltransferase Su(var)3-9, and Protein G9a (G9a), Uniprot O43463, P45975, Q96KQ7, and Q9Z148
DOI: 10.7270/q2q81ffg
title: BindingDB Entry 50042835: Euryspongins A-C, three new unique sesquiterpenes from a marine sponge Euryspongia sp.

description: Small molecule binding data for protein Protein-tyrosine phosphatase 1B, Uniprot P18031
DOI: 10.7270/q2sj1n49
title: BindingDB Entry 50043918: Interaction kinetics of liposome-incorporated unsaturated fatty acids with fatty acid-binding protein 3 by surface plasmon resonance.

description: Small molecule binding data for protein Fatty acid binding protein muscle, Uniprot P05413
DOI: 10.7270/q2sx6fwc
title: BindingDB Entry 50045410: Discovery of thienoimidazole-based HCV NS5A inhibitors. Part 2: non-symmetric inhibitors with potent activity against genotype 1a and 1b.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, and Voltage-gated potassium channel, Uniprot P08684, P10635, P11712, and Q12809
DOI: 10.7270/q2t72k1q
title: BindingDB Entry 50044959: New tetracyclic tacrine analogs containing pyrano[2,3-c]pyrazole: efficient synthesis, biological assessment and docking simulation study.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2x92ct5
title: BindingDB Entry 50043917: Novel spiroketal pyrrolidine GSK2336805 potently inhibits key hepatitis C virus genotype 1b mutants: from lead to clinical compound.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P05177, P10635, P11712, and P33261
DOI: 10.7270/q2xp76g9
title: BindingDB Entry 50044423: Synthesis and enzymic activity of some novel xanthine oxidase inhibitors. 3-Substituted 5,7-dihydroxypyrazolo(1,5-alpha)pyrimidines.

description: Small molecule binding data for protein Xanthine dehydrogenase, Uniprot P80457
DOI: 10.7270/q2xw4mfr
title: BindingDB Entry 50044958: Carboline- and phenothiazine-derivated heterocycles as potent SIGMA-1 protein ligands.

description: Small molecule binding data for protein Sigma, Uniprot Q99720
DOI: 10.7270/q20866qj
title: BindingDB Entry 50043305: Cushing's syndrome: development of highly potent and selective CYP11B1 inhibitors of the (pyridylmethyl)pyridine type.

description: Small molecule binding data for protein Cytochrome P450 11B1, Cytochrome P450 11B2, Cytochrome P450 2A6, Cytochrome P450 3A, and Steroid 11-beta-Hydroxylase (CYP11B1), Uniprot P08684, P11509, P15393, P15538, and P19099
DOI: 10.7270/q2125v53
title: BindingDB Entry 50043924: A 2,6,9-hetero-trisubstituted purine inhibitor exhibits potent biological effects against multiple myeloma cells.

description: Small molecule binding data for protein JAK3/JAK1, Leukocyte tyrosine kinase receptor, and Tyrosine-protein kinase JAK2, Uniprot O60674, P29376, and P52333
DOI: 10.7270/q21n82r6
title: BindingDB Entry 50044965: Design, synthesis and biological evaluation of bis-aryl ureas and amides based on 2-amino-3-purinylpyridine scaffold as DFG-out B-Raf kinase inhibitors.

description: Small molecule binding data for protein RAF serine/threonine protein kinase, Uniprot P15056
DOI: 10.7270/q22j6d8k
title: BindingDB Entry 50042840: 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.

description: Small molecule binding data for protein Arginase-1 and Arginase-2, mitochondrial, Uniprot P05089 and P78540
DOI: 10.7270/q24t6kw3
title: BindingDB Entry 50043923: Hepatitis C replication inhibitors that target the viral NS4B protein.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C19, Cytochrome P450 2C9, and Cytochrome P450 2D6 (2D6), Uniprot P05177, P10635, P11712, and P33261
DOI: 10.7270/q2571dkj
title: BindingDB Entry 50044430: Use of adenine nucleotide derivatives to assess the potential of exo-active-site-directed reagents as species- or isozyme-specific enzyme inactivators. 2. Isozyme-specific inactivation of a mammalian enzyme and its significance in the possible design of fetal isozyme targeted antineoplastic agents.

description: Small molecule binding data for protein Pyruvate kinase isozymes R/L, Uniprot P12928
DOI: 10.7270/q25d8tf3
title: BindingDB Entry 50044964: Design, synthesis and in vitro antitumor activity of novel N-substituted-4-phenyl/benzylphthalazin-1-ones.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor and Vascular endothelial growth factor receptor 2, Uniprot L7RSL3, P17948, and P35968
DOI: 10.7270/q26974zf
title: BindingDB Entry 50042839: A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors.

description: Small molecule binding data for protein A disintegrin and metalloproteinase with thrombospondin motifs 13, A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4), A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5), ADAM17, ADAMTS5, Collagenase, Matrix metalloproteinase-14 (MMP14), and Stromelysin-1, Uniprot O75173, P08253, P08254, P50281, P78536, Q76LX8, Q9TT92, and Q9UNA0
DOI: 10.7270/q28k7bkc
title: BindingDB Entry 50043922: TBA

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Uniprot P09917
DOI: 10.7270/q29025bq
title: BindingDB Entry 50044429: Potent reversible anticholinesterase agents. Bis- and mono-N-substituted benzoquinolinium halides.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BChE), Uniprot O42275 and Q9N1N9
DOI: 10.7270/q2959k5t
title: BindingDB Entry 50044963: Development and evaluation of ST-1829 based on 5-benzylidene-2-phenylthiazolones as promising agent for anti-leukotriene therapy.

description: Small molecule binding data for protein 12-Lipoxygenase (12-LOX), 5-lipoxygenase/FLAP, Arachidonate 15-lipoxygenase, and Arachidonate 5-lipoxygenase, Uniprot P09917, P12527, P16050, and P18054
DOI: 10.7270/q29z968j
title: BindingDB Entry 50042838: Design, synthesis, and biological activity of diaryl ether inhibitors of Toxoplasma gondii enoyl reductase.

description: Small molecule binding data for protein Enoyl-acyl carrier reductase
DOI: 10.7270/q2cn75jg
title: BindingDB Entry 50045421: An Orally Available BACE1 Inhibitor That Affords Robust CNS Aß Reduction without Cardiovascular Liabilities.

description: Small molecule binding data for protein Beta-secretase 1 and Voltage-gated potassium channel, Uniprot P56817 and Q12809
DOI: 10.15156/bio/sh1065484.09fu
title: SH1065484.09FU

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/sh1065485.09fu
title: SH1065485.09FU

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/sh1065486.09fu
title: SH1065486.09FU

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/sh1065487.09fu
title: SH1065487.09FU

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/sh1065488.09fu
title: SH1065488.09FU

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/sh1065489.09fu
title: SH1065489.09FU

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.