cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q22n52t8
title: BindingDB Entry 50035467: Adenosine deaminase inhibitors. Conversion of a single chiral synthon into erythro- and threo-9-(2-hydroxy-3-nonyl)adenines.

description: Small molecule binding data for protein Adenosine deaminase, Uniprot P00813
DOI: 10.7270/q22r3s2c
title: BindingDB Entry 50033791: N-(1,3-Diaryl-3-oxopropyl)amides as a new template for xanthine oxidase inhibitors.

description: Small molecule binding data for protein Xanthine dehydrogenase, Uniprot P80457
DOI: 10.7270/q2474b9z
title: BindingDB Entry 50034658: Structure-based virtual screening approach to the discovery of p38 MAP kinase inhibitors.

description: Small molecule binding data for protein Mitogen-activated protein kinase 14, Uniprot Q16539
DOI: 10.7270/q2697471
title: BindingDB Entry 50036420: Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition.

description: Small molecule binding data for protein Human immunodeficiency virus type 1 reverse transcriptase
DOI: 10.7270/q26d5tjm
title: BindingDB Entry 50035465: Synthesis and evaluation of some stable multisubstrate adducts as inhibitors of catechol O-methyltransferase.

description: Small molecule binding data for protein Catechol O-methyltransferase (MB-COMT), Uniprot P21964
DOI: 10.7270/q26h4ht4
title: BindingDB Entry 50033790: Discovery, synthesis, and structure-activity relationship of 6-aminomethyl-7,8-dihydronaphthalenes as human melanin-concentrating hormone receptor 1 antagonists.

description: Small molecule binding data for protein GPR24 and Melanin-concentrating hormone receptor, Uniprot Q99705
DOI: 10.7270/q2805324
title: BindingDB Entry 50034657: Acetylenic acid analogues from the edible mushroom Chanterelle (Cantharellus cibarius) and their effects on the gene expression of peroxisome proliferator-activated receptor-gamma target genes.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor, Uniprot P37231
DOI: 10.7270/q29z95k5
title: BindingDB Entry 50036419: Structure-activity relationships of boronic acid inhibitors of dipeptidyl peptidase IV. 1. Variation of the P2 position of Xaa-boroPro dipeptides.

description: Small molecule binding data for protein Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), and Endopeptidase prolyl oligopeptidase (PREP), Uniprot P27487, P48147, and Q9UHL4
DOI: 10.7270/q2b56k8b
title: BindingDB Entry 50035462: Interaction of 1-(5-phospho-beta-D-arabinofuranosyl)-5-substituted-uracils with thymidylate synthetase: mechanism-based inhibition by 1-(5-phospho-beta-D-arabinosyl)-5-fluorouracil.

description: Small molecule binding data for protein Thymidylate synthase
DOI: 10.7270/q2b858hd
title: BindingDB Entry 50033789: De novo design, synthesis and biological evaluation of 1,4-dihydroquinolin-4-ones and 1,2,3,4-tetrahydroquinazolin-4-ones as potent kinesin spindle protein (KSP) inhibitors.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2cr5tt6
title: BindingDB Entry 50034656: Discovery of a series of imidazopyrazine small molecule inhibitors of the kinase MAPKAPK5, that show activity using in vitro and in vivo models of rheumatoid arthritis.

description: Small molecule binding data for protein MAP kinase-activated protein kinase 5, Uniprot Q8IW41
DOI: 10.7270/q2ft8mmg
title: BindingDB Entry 50035460: Highly selective inhibitors of thromboxane synthetase. 2. Pyridine derivatives.

description: Small molecule binding data for protein Thromboxane A2 Synthase (P450 TxA2), Uniprot P24557
DOI: 10.7270/q2fx79t3
title: BindingDB Entry 50033788: Inhibition of LuxS by S-ribosylhomocysteine analogues containing a [4-aza]ribose ring.

description: Small molecule binding data for protein S-ribosylhomocysteine lyase, Uniprot O34667
DOI: 10.7270/q2hh6kjx
title: BindingDB Entry 50034655: Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation.

description: Small molecule binding data for protein Acetylcholinesterase and Butyrylcholinesterase (BuChE), Uniprot O42275 and P81908
DOI: 10.7270/q2kk9cb6
title: BindingDB Entry 50035459: Highly selective inhibitors of thromboxane synthetase. 1. Imidazole derivatives.

description: Small molecule binding data for protein Thromboxane A2 Synthase (P450 TxA2), Uniprot P24557
DOI: 10.7270/q2kp82hc
title: BindingDB Entry 50033787: Synthesis and characterization of tritylthioethanamine derivatives with potent KSP inhibitory activity.

description: Small molecule binding data for protein Kinesin-like protein 1, Uniprot P52732
DOI: 10.7270/q2n87b8n
title: BindingDB Entry 50034654: Wake-promoting agents: search for next generation modafinil: part II.

description: Small molecule binding data for protein Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Cytochrome P450 3A5 (CYP3A5), Dopamine Transporter (DAT), Sodium-dependent serotonin transporter, and Transporter, Uniprot P08684, P10635, P11712, P20815, P23977, P31652, and P33261
DOI: 10.7270/q2p84cjt
title: BindingDB Entry 50036424: Synthesis of potent cyclic hexapeptide NK-1 antagonists. Use of a minilibrary in transforming a peptidal somatostatin receptor ligand into an NK-1 receptor ligand via a polyvalent peptidomimetic.

description: Small molecule binding data for protein Beta-2 adrenergic receptor and beta-3 adrenergic receptor and Neurokinin 1 receptor, Uniprot P07550 and P25103
DOI: 10.7270/q2q81dr3
title: BindingDB Entry 50036416: Synthesis and biological activity of folic acid and methotrexate analogues containing L-threo-(2S,4S)-4-fluoroglutamic acid and DL-3,3-difluoroglutamic acid.

description: Small molecule binding data for protein Dihydrofolate reductase, Uniprot P00374
DOI: 10.7270/q2qc0411
title: BindingDB Entry 50035458: Evidence of the preferential involvement of mu receptors in analgesia using enkephalins highly selective for peripheral mu or delta receptors.

description: Small molecule binding data for protein Delta-type opioid receptor and mu/kappa opioid receptor, Uniprot P32300 and P97266
DOI: 10.7270/q2qf8t7q
title: BindingDB Entry 50033786: Substituted lactam and cyclic azahemiacetals modulate Pseudomonas aeruginosa quorum sensing.

description: Small molecule binding data for protein Transcriptional activator protein lasR, Uniprot P25084
DOI: 10.7270/q2r211wk
title: BindingDB Entry 50034661: Biotransformations of 6',7'-dihydroxybergamottin and 6',7'-epoxybergamottin by the citrus-pathogenic fungi diminish cytochrome P450 3A4 inhibitory activity.

description: Small molecule binding data for protein Cytochrome P450 3A, Uniprot P08684
DOI: 10.7270/q2s182zh
title: BindingDB Entry 50034653: Novel 5-substituted 1H-tetrazoles as cyclooxygenase-2 (COX-2) inhibitors.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q2t15490
title: BindingDB Entry 50036423: Ryanodine action at calcium release channels. 2. relation to substituents of the cyclohexane ring.

description: Small molecule binding data for protein Ryanodine receptor 2
DOI: 10.7270/q2t43tmk
title: BindingDB Entry 50035469: Interaction of aromatic dyes with the coenzyme A binding site of choline acetyltransferase.

description: Small molecule binding data for protein Choline acetylase, Uniprot P28329
DOI: 10.7270/q2t72ht6
title: BindingDB Entry 50033793: 2-({6-[(3R)-3-amino-3-methylpiperidine-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidine-5-yl}methyl)-4-fluorobenzonitrile (DSR-12727): a potent, orally active dipeptidyl peptidase IV inhibitor without mechanism-based inactivation of CYP3A.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6 (2D6), Cytochrome P450 3A, Dipeptidyl peptidase 2 (DPP II), Dipeptidyl peptidase 4 (DPP4), Dipeptidyl peptidase IX, Dipeptidyl peptidase VIII, Endopeptidase prolyl oligopeptidase (PREP), Fibroblast activation protein alpha, Membrane-bound aminopeptidase P (APP2), Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2 and M4, and Voltage-gated potassium channel, Uniprot O43895, P05177, P08172, P08173, P08684, P10632, P10635, P11229, P11509, P11712, P27487, P33261, P48147, Q12809, Q12884, Q6V1X1, Q86TI2, and Q9UHL4
DOI: 10.7270/q2v40vrz
title: BindingDB Entry 50035457: Importance of the aromatic ring in adrenergic amines. 6. Nonaromatic analogues of phenylethanolamine as inhibitors of phenylethanolamine N-methyltransferase: role of pi-electronic and steric interactions.

description: Small molecule binding data for protein Phenylethanolamine N-methyltransferase, Uniprot P10938
DOI: 10.7270/q2vt1sk5
title: BindingDB Entry 50034660: Rational design, synthesis and characterization of potent, drug-like monomeric Smac mimetics as pro-apoptotic anticancer agents.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 2 and X-linked inhibitor of apoptosis protein (XIAP), Uniprot P98170 and Q13490
DOI: 10.7270/q2wq0485
title: BindingDB Entry 50034652: Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptorsa/¿ dual agonists.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor and Peroxisome proliferator-activated receptor alpha (PPAR alpha), Uniprot P37231 and Q07869
DOI: 10.7270/q2xs5w2g
title: BindingDB Entry 50036422: Synthesis and structure-activity relationships of 2-substituted D-tryptophan-containing peptidic endothelin receptor antagonists: importance of the C-2 substituent of the D-tryptophan residue for endothelin A and B receptor subtype selectivity.

description: Small molecule binding data for protein EDNRA, EDNRB, Endothelin receptor ET-A, and Endothelin receptor ET-B, Uniprot P24530, P25101, P35463, and Q29010
DOI: 10.7270/q21j9bft
title: BindingDB Entry 50036429: Modulators of leukotriene biosynthesis and receptor activation.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Cysteinyl leukotriene receptor, and LTB4R, Uniprot P20292, Q15722, and Q9Y271
DOI: 10.7270/q21n81pw
title: BindingDB Entry 50035477: Species- or isozyme-specific enzyme inhibitors. 9. Selective effects in inhibitions of rat pyruvate kinase isozymes by adenosine 5'-diphosphate derivatives.

description: Small molecule binding data for protein Pyruvate kinase isozymes M1/M2 and Pyruvate kinase isozymes R/L, Uniprot P11980 and P12928
DOI: 10.7270/q21r6qw4
title: BindingDB Entry 50033799: Biochemical characterization of a novel type-II VEGFR2 kinase inhibitor: comparison of binding to non-phosphorylated and phosphorylated VEGFR2.

description: Small molecule binding data for protein Vascular endothelial growth factor receptor 2, Uniprot P35968
DOI: 10.7270/q2377961
title: BindingDB Entry 50034666: Asymmetric synthesis and evaluation of a hydroxyphenylamide voltage-gated sodium channel blocker in human prostate cancer xenografts.

description: Small molecule binding data for protein Sodium channel alpha subunit and Voltage-gated sodium channel subunit Nav1.5, Uniprot Q14524 and Q15858
DOI: 10.7270/q25b0353
title: BindingDB Entry 50036428: Design of orally active dual inhibitors of neutral endopeptidase and angiotensin-converting enzyme with long duration of action.

description: Small molecule binding data for protein Angiotensin-converting enzyme and Neprilysin, Uniprot P08049 and P47820
DOI: 10.7270/q25d8sd7
title: BindingDB Entry 50035476: Species- or isozyme-specific enzyme inhibitors. 8. Synthesis of disubstituted two-substrate condensation products as inhibitors of rat adenylate kinases.

description: Small molecule binding data for protein Adenylate kinase 1 and Adenylate kinase 2, Uniprot P29410 and P39069
DOI: 10.7270/q25h7gn9
title: BindingDB Entry 50033798: Chemical modifications of resveratrol for improved protein kinase C alpha activity.

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q27081ww
title: BindingDB Entry 50034665: Design, synthesis and biological evaluation of pyrazolyl-thiazolinone derivatives as potential EGFR and HER-2 kinase inhibitors.

description: Small molecule binding data for protein Epidermal growth factor receptor and Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Uniprot P00533 and P04626
DOI: 10.7270/q2930tt4
title: BindingDB Entry 50036427: Molecular modeling and site-directed mutagenesis studies of a phorbol ester-binding site in protein kinase C.

description: Small molecule binding data for protein Protein kinase C alpha type, Uniprot P17252
DOI: 10.7270/q2959j4z
title: BindingDB Entry 50035474: Novel synthesis of (S)-1-[5-(benzoylamino)-1,4-dioxo-6-phenylhexyl]-L-proline and analogues: potent angiotensin converting enzyme inhibitors.

description: Small molecule binding data for protein Angiotensin-Converting Enzyme 2, Uniprot P12821 and Q9BYF1
DOI: 10.7270/q29887dg
title: BindingDB Entry 50033797: Synthesis and pharmacological evaluation of 1-alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives as novel antihypertensive agents.

description: Small molecule binding data for protein Voltage-gated T-type calcium channel, Uniprot O43497
DOI: 10.7270/q2br8snc
title: BindingDB Entry 50034664: N-1 and C-3 substituted indole Schiff bases as selective COX-2 inhibitors: synthesis and biological evaluation.

description: Small molecule binding data for protein Cyclooxygenase and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.15156/bio/sh267949.07fu
title: SH267949.07FU

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/sh267950.07fu
title: SH267950.07FU

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/sh267951.07fu
title: SH267951.07FU

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/sh267952.07fu
title: SH267952.07FU

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/sh267953.07fu
title: SH267953.07FU

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/sh267954.07fu
title: SH267954.07FU

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/sh267955.07fu
title: SH267955.07FU

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/sh267956.07fu
title: SH267956.07FU

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/sh267957.07fu
title: SH267957.07FU

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.