cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q2n58pmm
title: BindingDB Entry 50049184: Design, synthesis and biological evaluation of indolin-2-one-based derivatives as potent, selective and efficacious inhibitors of FMS-like tyrosine kinase3 (FLT3).

description: Small molecule binding data for protein 1,3-beta-glucan synthase component GLS2, Cytochrome P450 1A, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Mast/stem cell growth factor receptor Kit, Platelet-derived growth factor receptor, and Tyrosine-protein kinase receptor FLT3, Uniprot P05177, P08684, P10632, P10635, P10721, P11712, P16234, P20813, P33261, P36888, and P40989
DOI: 10.7270/q2rx9f9k
title: BindingDB Entry 50049183: Discovery and evaluation of inhibitors to the immunosuppressive enzyme indoleamine 2,3-dioxygenase 1 (IDO1): Probing the active site-inhibitor interactions.

description: Small molecule binding data for protein Indoleamine 2,3-dioxygenase 1, Uniprot P14902
DOI: 10.7270/q2377c05
title: BindingDB Entry 50049196: Full Sequence Amino Acid Scanning of¿-Defensin RTD-1 Yields a Potent Anthrax Lethal Factor Protease Inhibitor.

description: Small molecule binding data for protein ADAM17 and Antrax lethal toxin, Uniprot P15917 and P78536
DOI: 10.7270/q2474d4j
title: BindingDB Entry 50049188: New diphenylmethane derivatives as peroxisome proliferator-activated receptor alpha/gamma dual agonists endowed with anti-proliferative effects and mitochondrial activity.

description: Small molecule binding data for protein Peroxisome proliferator-activated receptor and Peroxisome proliferator-activated receptor delta, Uniprot P37231, Q03181, and Q07869
DOI: 10.7270/q27083qg
title: BindingDB Entry 50049195: Identification of High-Potency Human TLR8 and Dual TLR7/TLR8 Agonists in Pyrimidine-2,4-diamines.

description: Small molecule binding data for protein Toll-like receptor 7 and Toll-like receptor 8 (TLR8), Uniprot Q9NR97 and Q9NYK1
DOI: 10.7270/q2br8vgz
title: BindingDB Entry 50049194: Identification of Triazolothiadiazoles as Potent Inhibitors of the dCTP Pyrophosphatase 1.

description: Small molecule binding data for protein ADP-ribose pyrophosphatase, mitochondrial, ADP-sugar pyrophosphatase, Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical], Inosine triphosphate pyrophosphatase, MutT homolog 1 protein (MTH1), Nucleotide triphosphate diphosphatase NUDT15, Uridine diphosphate glucose pyrophosphatase, and dCTP pyrophosphatase 1, Uniprot O95848, P36639, P50583, Q9BW91, Q9BY32, Q9H773, Q9NV35, and Q9UKK9
DOI: 10.7270/q2gh9m74
title: BindingDB Entry 50049193: Discovery of 2-((3-Acrylamido-4-methylphenyl)amino)-N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide (CHMFL-BMX-078) as a Highly Potent and Selective Type II Irreversible Bone Marrow Kinase in the X Chromosome (BMX) Kinase Inhibitor.

description: Small molecule binding data for protein Epithelial discoidin domain-containing receptor 1, Mitogen-activated protein kinase 14, Tyrosine-protein kinase BMX, and Tyrosine-protein kinase BTK, Uniprot P51813, Q06187, and Q08345
DOI: 10.7270/q2m90bxj
title: BindingDB Entry 50049192: Role of Reactive Oxygen Species (ROS) in Therapeutics and Drug Resistance in Cancer and Bacteria.

description: Small molecule binding data for protein Dehydrosqualene synthase, Uniprot A9JQL9
DOI: 10.7270/q2qz2d7n
title: BindingDB Entry 50049191: Discovery and Synthesis of a Phosphoramidate Prodrug of a Pyrrolo[2,1-f][triazin-4-amino] Adenine C-Nucleoside (GS-5734) for the Treatment of Ebola and Emerging Viruses.

description: Small molecule binding data for protein DNA polymerase (alpha/delta/epsilon), DNA polymerase beta, and DNA-directed RNA polymerase, mitochondrial, Uniprot O00411, P06746, and P09884
DOI: 10.7270/q2vq34xh
title: BindingDB Entry 50049190: Inhibitors of Influenza Virus Polymerase Acidic (PA) Endonuclease: Contemporary Developments and Perspectives.

description: Small molecule binding data for protein PA/PB1, Uniprot P03433
DOI: 10.17632/vs55jm5pg9.1
title: Data for: Flood risk assessment of cultural heritage at large spatial scales: framework and application to mainland Portugal

description: Results of the application of a semi-quantitative flood risk assessment framework to immovable cultural heritage assets in mainland Portugal.
DOI: 10.7270/q22809vx
title: BindingDB Entry 50049204: Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 2: Structure-Based Drug Design and Structure-Activity Relationship.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, LSD1/CoREST complex, and Lysine-specific histone demethylase 1B, Uniprot O60341, P21397, P27338, Q8NB78, and Q9UKL0
DOI: 10.7270/q26112kn
title: BindingDB Entry 50049203: Thieno[3,2-b]pyrrole-5-carboxamides as New Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1. Part 1: High-Throughput Screening and Preliminary Exploration.

description: Small molecule binding data for protein Amine oxidase [flavin-containing] A, Amine oxidase [flavin-containing] B, LSD1/CoREST complex, and Lysine-specific histone demethylase 1B, Uniprot O60341, P21397, P27338, Q8NB78, and Q9UKL0
DOI: 10.7270/q29s1t9p
title: BindingDB Entry 50049202: Design, Synthesis, Structure-Activity Relationship Studies, and Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) Modeling of a Series of O-Biphenyl Carbamates as Dual Modulators of Dopamine D3 Receptor and Fatty Acid Amide Hydrolase.

description: Small molecule binding data for protein Anandamide amidohydrolase, D(2) dopamine receptor, D(3) dopamine receptor, and Fatty-acid amide hydrolase 1, Uniprot O00519, P14416, P35462, and P97612
DOI: 10.7270/q2fj2k2v
title: BindingDB Entry 50049201: Design, Synthesis, and Biological Evaluation of Coupled Bioactive Scaffolds as Potential Anticancer Agents for Dual Targeting of Dihydrofolate Reductase and Thioredoxin Reductase.

description: Small molecule binding data for protein Dihydrofolate reductase and Thioredoxin reductase 1, cytoplasmic, Uniprot O89049 and P00374
DOI: 10.7270/q2k939s5
title: BindingDB Entry 50049200: Fluorinated Chaperone-ß-Cyclodextrin Formulations forß-Glucocerebrosidase Activity Enhancement in Neuronopathic Gaucher Disease.

description: Small molecule binding data for protein α-galactosidase, Alpha-mannosidase, and Glucosylceramidase, Uniprot C0HJB3, P04062, and Q42656
DOI: 10.7270/q2q242gf
title: BindingDB Entry 50049199: Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.

description: Small molecule binding data for protein Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, Phosphodiesterase 11A, Phosphodiesterase 2 and 5 (PDE2 and PDE5), Phosphodiesterase 2A, Phosphodiesterase 3 and 5 (PDE3 and PDE5), Phosphodiesterase 6C (PDE6C), Phosphodiesterase 7, Phosphodiesterase 8, Phosphodiesterase 9A, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, cAMP-specific 3',5'-cyclic phosphodiesterase 4D, and cGMP-dependent 3',5'-cyclic phosphodiesterase, Uniprot O00408, O60658, O76074, O76083, P51160, Q01062, Q01064, Q08499, Q13946, Q14432, Q9HCR9, and Q9Y233
DOI: 10.7270/q2st7s3j
title: BindingDB Entry 50049206: Structural Optimization and Pharmacological Evaluation of Inhibitors Targeting Dual-Specificity Tyrosine Phosphorylation-Regulated Kinases (DYRK) and CDC-like kinases (CLK) in Glioblastoma.

description: Small molecule binding data for protein Dual specificity protein kinase CLK1/CLK4, Dual specificity tyrosine-phosphorylation-regulated kinase 1B, Dual specificity tyrosine-phosphorylation-regulated kinase 4, Dual-specificity tyrosine-phosphorylation regulated kinase 1A, Dual-specificity tyrosine-phosphorylation regulated kinase 2, and Dual-specificity tyrosine-phosphorylation regulated kinase 3, Uniprot O43781, P49759, Q13627, Q92630, Q9NR20, and Q9Y463
DOI: 10.7270/q2tq63tk
title: BindingDB Entry 50049198: Identification of Novel Triazole-Based Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors Endowed with Antiproliferative and Antiinflammatory Activity.

description: Small molecule binding data for protein Nicotinamide phosphoribosyltransferase, Uniprot P43490 and Q99KQ4
DOI: 10.7270/q2zg6vhg
title: BindingDB Entry 50049197: Structure-Based Library Design and Fragment Screening for the Identification of Reversible Complement Factor D Protease Inhibitors.

description: Small molecule binding data for protein Factor D, Kallikrein 5, Kallikrein 7, Leukocyte elastase, and Thrombin and coagulation factor X, Uniprot P00734, P00742, P00746, P08246, P49862, and Q9Y337
DOI: 10.21227/9403-kb65
title: Test zip

description: --
DOI: 10.25345/c5vh5b
title: MassIVE MSV000084691 - A subfraction containing rich brominated phenols
title: A subfraction containing rich brominated phenols extracted from a red alga Ceramium sp. collected in Florida coastline
DOI: 10.5281/zenodo.3576081
title: BCdatabaser - its1.magnoliophyta.sp_list.2019-12-14.zip

description: Parameters: --marker-search-string Its1 --taxonomic-range Magnoliophyta --sequence-length-filter 100:2000 --sequences-per-taxon 9
description: This dataset was automatically created with data from NCBI using the BCdatabaser tool
description: {"references": ["Keller et al. (2019) BCdatabaser: on-the-fly reference database creation for (meta-)barcoding. EcoEvoRxiv (2019); https://doi.org/10.32942/osf.io/cmfu2 - https://github.com/molbiodiv/bcdatabaser", "eutils: Sayers E. E-utilities Quick Start. 2008 Dec 12 [Updated 2018 Oct 24]. In: Entrez Programming Utilities Help [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from: https://www.ncbi.nlm.nih.gov/books/NBK25500/", "NCBI::Taxonomy: F\u00f6rster et al. https://github.com/greatfireball/NCBI-Taxonomy - F\u00f6rster F. greatfireball/NCBI-Taxonomy v0.90. Zenodo. 2018 Oct 15; https://doi.org/10.5281/zenodo.1462861", "SeqFilter: Hackl et al. https://github.com/BioInf-Wuerzburg/SeqFilter", "dispr: Cofield et al. https://github.com/douglasgscofield/dispr", "Krona: Ondov BD, Bergman NH, and Phillippy AM. Interactive metagenomic visualization in a Web browser. BMC Bioinformatics. 2011 Sep 30; 12(1):385."]}
DOI: 10.5281/zenodo.3576082
title: BCdatabaser - its1.magnoliophyta.sp_list.2019-12-14.zip

description: Parameters: --marker-search-string Its1 --taxonomic-range Magnoliophyta --sequence-length-filter 100:2000 --sequences-per-taxon 9
description: This dataset was automatically created with data from NCBI using the BCdatabaser tool
description: {"references": ["Keller et al. (2019) BCdatabaser: on-the-fly reference database creation for (meta-)barcoding. EcoEvoRxiv (2019); https://doi.org/10.32942/osf.io/cmfu2 - https://github.com/molbiodiv/bcdatabaser", "eutils: Sayers E. E-utilities Quick Start. 2008 Dec 12 [Updated 2018 Oct 24]. In: Entrez Programming Utilities Help [Internet]. Bethesda (MD): National Center for Biotechnology Information (US); 2010-. Available from: https://www.ncbi.nlm.nih.gov/books/NBK25500/", "NCBI::Taxonomy: F\u00f6rster et al. https://github.com/greatfireball/NCBI-Taxonomy - F\u00f6rster F. greatfireball/NCBI-Taxonomy v0.90. Zenodo. 2018 Oct 15; https://doi.org/10.5281/zenodo.1462861", "SeqFilter: Hackl et al. https://github.com/BioInf-Wuerzburg/SeqFilter", "dispr: Cofield et al. https://github.com/douglasgscofield/dispr", "Krona: Ondov BD, Bergman NH, and Phillippy AM. Interactive metagenomic visualization in a Web browser. BMC Bioinformatics. 2011 Sep 30; 12(1):385."]}
DOI: 10.5519/qd.m5sljihr
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (476 records)
DOI: 10.7270/q21838sf
title: BindingDB Entry 50049212: Soluble epoxide hydrolase inhibitors of indolinone alkaloids and phenolic derivatives from Cimicifuga dahurica (Turcz.) Maxim.

description: Small molecule binding data for protein Epoxide hydratase, Uniprot P34913
DOI: 10.7270/q25141gq
title: BindingDB Entry 50049211: Discovery of Potent and Orally Bioavailable GPR40 Full Agonists Bearing Thiophen-2-ylpropanoic Acid Scaffold.

description: Small molecule binding data for protein Free fatty acid receptor 1, G-protein coupled receptor 120, and Peroxisome proliferator-activated receptor, Uniprot O14842, P37231, and Q5NUL3
DOI: 10.7270/q28s4s59
title: BindingDB Entry 50049210: Identification of novel TACE inhibitors compatible with topical application.

description: Small molecule binding data for protein ADAM17, Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10), Disintegrin and metalloproteinase domain-containing protein 17, Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9), Matrix metalloproteinase (1 and 13), Matrix metalloproteinase (2 and 3), Matrix metalloproteinase 12, and Matrix metalloproteinase 2/9, Uniprot O14672, P03956, P08254, P14780, P39900, P78536, Q13443, and Q9Z0F8
DOI: 10.7270/q2dj5hwm
title: BindingDB Entry 50049209: The 2014 Philip S. Portoghese Medicinal Chemistry Lectureship: The"Phenylalkylaminome" with a Focus on Selected Drugs of Abuse.

description: Small molecule binding data for protein 5-hydroxytryptamine receptor 1A (5-HT1A), Adenosine receptor A1/Alpha-2A adrenergic receptor, Adrenergic receptor alpha, Alpha-2B adrenergic receptor, Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a), Dopamine D2 receptor and serotonin 2a receptor, Monoamine transporters; Norepininephrine & dopamine, Monoamine transporters; serotonin & dopamine, Serotonin (5-HT) receptor, Serotonin 1 (5-HT1) receptor, Sigma-1 receptor, Sodium-dependent serotonin transporter, and Trace amine-associated receptor 1 (TAAR1), Uniprot P08908, P08913, P14842, P18089, P18825, P23977, P31645, P31652, P50406, Q01959, Q4W594, Q60492, and Q923Y9
DOI: 10.7270/q2j968ns
title: BindingDB Entry 50049208: Development of 1,2,4-Oxadiazoles as Potent and Selective Inhibitors of the Human Deacetylase Sirtuin 2: Structure-Activity Relationship, X-ray Crystal Structure, and Anticancer Activity.

description: Small molecule binding data for protein NAD-dependent deacetylase sirtuin 2
DOI: 10.7270/q2p271dz
title: BindingDB Entry 50049207: Synthesis and biological evaluations of chalcones, flavones and chromenes as farnesoid x receptor (FXR) antagonists.

description: Small molecule binding data for protein Bile acid receptor, Uniprot Q96RI1
DOI: 10.7270/q2rv0r05
title: BindingDB Entry 50049214: Discovery and Preclinical Characterization of 3-((4-(4-Chlorophenyl)-7-fluoroquinoline-3-yl)sulfonyl)benzonitrile, a Novel Non-acetylenic Metabotropic Glutamate Receptor 5 (mGluR5) Negative Allosteric Modulator for Psychiatric Indications.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, Metabotropic glutamate receptor, and Metabotropic glutamate receptor 5, Uniprot P05177, P08684, P10635, P11712, P31424, and P41594
DOI: 10.7270/q2wm1gp1
title: BindingDB Entry 50049213: Green synthesis of novel spiro-indenoquinoxaline derivatives and their cholinesterases inhibition activity.

description: Small molecule binding data for protein Cholinesterases; ACHE & BCHE, Uniprot P22303
DOI: 10.7270/q2xg9tdj
title: BindingDB Entry 50049205: Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.

description: Small molecule binding data for protein Heat shock protein HSP90, Pyruvate dehydrogenase kinase 3 (PDK3), Pyruvate dehydrogenase kinase 4 (PDK4), Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1), and Pyruvate dehydrogenase kinase isoform 2 (PDHK2), Uniprot P07900, Q15118, Q15119, Q15120, and Q16654
DOI: 10.7270/q20c4z1z
title: BindingDB Entry 50049220: Design and Synthesis of Enantiomerically Pure Decahydroquinoxalines as Potent and Selective¿-Opioid Receptor Agonists with Anti-Inflammatory Activity in Vivo.

description: Small molecule binding data for protein Kappa-type opioid receptor, Zinc finger protein 664, and mu/kappa opioid receptor, Uniprot P41144, P41145, P97266, and Q60493
DOI: 10.7270/q24170bb
title: BindingDB Entry 50049219: Discovery of quinone-directed antitumor agents selectively bioactivated by NQO1 over CPR with improved safety profile.

description: Small molecule binding data for protein Cytochrome P450 Reductase (CPR) and Quinone reductase 1), Uniprot P16435
DOI: 10.7270/q27s7r1x
title: BindingDB Entry 50049218: Discovery and Development of 1-[(2-Bromophenyl)sulfonyl]-5-methoxy-3-[(4-methyl-1-piperazinyl)methyl]-1H-indole Dimesylate Monohydrate (SUVN-502): A Novel, Potent, Selective and Orally Active Serotonin 6 (5-HT

description: Small molecule binding data for protein Adenosine receptor A1/Alpha-2A adrenergic receptor, Adrenergic receptor alpha, Cytochrome P450 1A, Cytochrome P450 2A6, Cytochrome P450 2B6, Cytochrome P450 2C19, Cytochrome P450 2C8, Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 2E1, Cytochrome P450 3A, Dopamine receptor D2 and D3, and Serotonin (5-HT) receptor, Uniprot P05177, P05181, P08684, P08913, P10632, P10635, P11712, P18825, P19020, P20813, P33261, P50406, and Q4W594
DOI: 10.7270/q2cj8gr7
title: BindingDB Entry 50049217: Discovery of G Protein-Biased Dopaminergics with a Pyrazolo[1,5-a]pyridine Substructure.

description: Small molecule binding data for protein D(3) dopamine receptor, Dopamine D1 and D2 receptor, Dopamine D2 receptor and serotonin 2a receptor, Dopamine receptor, and Dopamine receptor D2L/neurotensin receptor NTS1, Uniprot P14416, P21728, and P35462
DOI: 10.7270/q2gb269p
title: BindingDB Entry 50049224: Modulating the selectivity of matriptase-2 inhibitors with unnatural amino acids.

description: Small molecule binding data for protein Hepatocyte growth factor activator/Serine protease hepsin/Suppressor of tumorigenicity 14 protein and Transmembrane protease serine 6, Uniprot Q8IU80 and Q9Y5Y6
DOI: 10.7270/q2h997gz
title: BindingDB Entry 50049216: Discovery of a 3-(4-Pyrimidinyl) Indazole (MLi-2), an Orally Available and Selective Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitor that Reduces Brain Kinase Activity.

description: Small molecule binding data for protein Cytochrome P450 2C9, Cytochrome P450 2D6, Cytochrome P450 3A, and Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2), Uniprot P08684, P10635, P11712, and Q5S007
DOI: 10.7270/q2m32z11
title: BindingDB Entry 50049223: Inhibition of the Aldehyde Dehydrogenase 1/2 Family by Psoralen and Coumarin Derivatives.

description: Small molecule binding data for protein Aldehyde dehydrogenase (ALDH2), Aldehyde dehydrogenase 1A1 (ALDH1A1), Aldehyde dehydrogenase 3A1 (ALDH3A1), Aldehyde dehydrogenase X, mitochondrial, Aldehyde dehydrogenase family 1 member A3, and Retinal dehydrogenase 2, Uniprot O94788, P00352, P05091, P30837, P30838, and P47895
DOI: 10.7270/q2n3007p
title: BindingDB Entry 50049215: Discovery of an Orally Selective Inhibitor of Signal Transducer and Activator of Transcription 3 Using Advanced Multiple Ligand Simultaneous Docking.

description: Small molecule binding data for protein Signal transducer and activator of transcription 3, Uniprot P40763
DOI: 10.7270/q2vm4fjn
title: BindingDB Entry 50049221: Drug Repurposing of Histone Deacetylase Inhibitors That Alleviate Neutrophilic Inflammation in Acute Lung Injury and Idiopathic Pulmonary Fibrosis via Inhibiting Leukotriene A4 Hydrolase and Blocking LTB4 Biosynthesis.

description: Small molecule binding data for protein Leukotriene A4 hydrolase, Uniprot P09960 and P24527
DOI: 10.34619/rqz2-xj86
title: Catching prompt metabolite dynamics in Escherichia coli with the BioScope at oxygen rich conditions [Datasets]

description: Data from the manuscript: De Mey M, Taymaz-Nikerel H, Baart G, et al. Catching prompt metabolite dynamics in Escherichia coli with the BioScope at oxygen rich conditions. Metab Eng. 2010;12(5):477-487. doi:10.1016/j.ymben.2010.04.003
DOI: 10.7270/q2348nnb
title: BindingDB Entry 50049227: Novel 2-phenyl-4,5,6,7-tetrahydro[b]benzothiophene analogues as selective COX-2 inhibitors: Design, synthesis, anti-inflammatory evaluation, and molecular docking studies.

description: Small molecule binding data for protein Prostaglandin E synthase/G/H synthase 2 and Prostaglandin G/H synthase (cyclooxygenase), Uniprot P05979 and P35354
DOI: 10.7270/q26t0px4
title: BindingDB Entry 50049226: Discovery and characterization of novel CYP1B1 inhibitors based on heterocyclic chalcones: Overcoming cisplatin resistance in CYP1B1-overexpressing lines.

description: Small molecule binding data for protein Cytochrome P450 1A, Cytochrome P450 1B1, Cytochrome P450 2C19, Cytochrome P450 2C9, Cytochrome P450 2D6, and Cytochrome P450 3A, Uniprot P04798, P05177, P08684, P10635, P11712, P33261, and Q16678
DOI: 10.7270/q2bk1fmd
title: BindingDB Entry 50049225: Systematic variation of the benzenesulfonamide part of the GluN2A selective NMDA receptor antagonist TCN-201.

description: Small molecule binding data for protein 1,3-beta-glucan synthase and Glutamate [NMDA] receptor subunit epsilon 1/zeta 1, Uniprot P35439, Q00959, and Q9P8N8
DOI: 10.7270/q2fb556r
title: BindingDB Entry 50049232: Indazole-Based Covalent Inhibitors To Target Drug-Resistant Epidermal Growth Factor Receptor.

description: Small molecule binding data for protein Epidermal growth factor receptor, Uniprot P00533
DOI: 10.7270/q2pv6nn3
title: BindingDB Entry 50049230: Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors.

description: Small molecule binding data for protein Cathepsin (L and K), Uniprot P07711
DOI: 10.7270/q2qv3psg
title: BindingDB Entry 50049222: Phosphinophosphonates and Their Tris-pivaloyloxymethyl Prodrugs Reveal a Negatively Cooperative Butyrophilin Activation Mechanism.

description: Small molecule binding data for protein Butyrophilin subfamily 3 member A1, Uniprot O00481
DOI: 10.7270/q2tm7dd8
title: BindingDB Entry 50049229: Evaluation of anti-diabetic effect and gall bladder function with 2-thio-5-thiomethyl substituted imidazoles as TGR5 receptor agonists.

description: Small molecule binding data for protein G-protein coupled bile acid receptor 1, Uniprot Q80SS6 and Q8TDU6
DOI: 10.7270/q2zc855f
title: BindingDB Entry 50049228: Synthesis of novel 1,2,4-triazine scaffold as FAK inhibitors with antitumor activity.

description: Small molecule binding data for protein Focal adhesion kinase 1, Uniprot Q05397
DOI: 10.5281/zenodo.3575254
title: Custom young-old population MNI-space MRI anatomical template

description: Custom young-old population template derived from 50 younger (25 female; <em>M</em> = 22.02 years, <em>SD</em> = 3.13 years) and 50 older (25 female; <em>M</em> = 67.14 years, <em>SD</em> = 6.7 years) low-motion adults (mean framewise displacement =0.09). Structural MRI scans for these participants were acquired using a 3T GE Discovery MR750 MRI scanner with a 32 channel head coil at the Cornell Magnetic Resonance Imaging Facility in Ithaca, New York. Anatomical images for included template participants were affine registered to MNI space using <em>@toMNI_Awarp</em> before being non-linearly, iteratively aligned using <em>@toMNI_Qwarpar</em> using the AFNI toolbox (https://afni.nimh.nih.gov/).
DOI: 10.5281/zenodo.3575255
title: Custom young-old population MNI-space MRI anatomical template

description: Custom young-old population template derived from 50 younger (25 female; <em>M</em> = 22.02 years, <em>SD</em> = 3.13 years) and 50 older (25 female; <em>M</em> = 67.14 years, <em>SD</em> = 6.7 years) low-motion adults (mean framewise displacement =0.09). Structural MRI scans for these participants were acquired using a 3T GE Discovery MR750 MRI scanner with a 32 channel head coil at the Cornell Magnetic Resonance Imaging Facility in Ithaca, New York. Anatomical images for included template participants were affine registered to MNI space using <em>@toMNI_Awarp</em> before being non-linearly, iteratively aligned using <em>@toMNI_Qwarpar</em> using the AFNI toolbox (https://afni.nimh.nih.gov/).